8UK

7-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide

Created:	2017-03-09
Last modified:	2021-10-06

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1 entries where 8UK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	77
Chiral Atom Count	2
Bond Count	81
Aromatic Bond Count	17

2D diagram of 8UK

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Chemical Component Summary
Name	7-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide
Formula	C₃₂ H₃₈ Cl N₃ O₃
Molecular Weight	548.115
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc(CNC(=O)CCCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](CC(=C5)C)c24)ccc1O
SMILES	OpenEye OEToolkits	2.0.6	CC1=CC2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCC(=O)NCc5ccc(c(c5)OC)O)C(C2)C1
Canonical SMILES	CACTVS	3.385	COc1cc(CNC(=O)CCCCCCNc2c3ccc(Cl)cc3nc4C[C@@H]5C[C@@H](CC(=C5)C)c24)ccc1O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC1=C[C@@H]2Cc3c(c(c4ccc(cc4n3)Cl)NCCCCCCC(=O)NCc5ccc(c(c5)OC)O)[C@@H](C2)C1
InChI	InChI	1.03	InChI=1S/C32H38ClN3O3/c1-20-13-22-15-23(14-20)31-27(16-22)36-26-18-24(33)9-10-25(26)32(31)34-12-6-4-3-5-7-30(38)35-19-21-8-11-28(37)29(17-21)39-2/h8-11,13,17-18,22-23,37H,3-7,12,14-16,19H2,1-2H3,(H,34,36)(H,35,38)/t22-,23+/m0/s1
InChIKey	InChI	1.03	JGUYMIZRMYBDGV-XZOQPEGZSA-N

Related Resource References

Resource Name	Reference
PubChem	156612850

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