QIU

3-[3-(2-acetamidoethyl)phenyl]benzoic acid

Created:	2017-07-27
Last modified:	2018-01-10

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1 entries where QIU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	12

2D diagram of QIU

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Chemical Component Summary
Name	3-[3-(2-acetamidoethyl)phenyl]benzoic acid
Systematic Name (OpenEye OEToolkits)	3-[3-(2-acetamidoethyl)phenyl]benzoic acid
Formula	C₁₇ H₁₇ N O₃
Molecular Weight	283.322
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)NCCc1cccc(c1)c2cccc(c2)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O
Canonical SMILES	CACTVS	3.385	CC(=O)NCCc1cccc(c1)c2cccc(c2)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NCCc1cccc(c1)c2cccc(c2)C(=O)O
InChI	InChI	1.03	InChI=1S/C17H17NO3/c1-12(19)18-9-8-13-4-2-5-14(10-13)15-6-3-7-16(11-15)17(20)21/h2-7,10-11H,8-9H2,1H3,(H,18,19)(H,20,21)
InChIKey	InChI	1.03	VSVONDXWDQOLJS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	131955101
ChEMBL	CHEMBL4169572

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