TVZ
3-(4-aminocarbonylphenyl)benzoic acid
Created: | 2017-07-27 |
Last modified: | 2018-01-10 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 29 |
Chiral Atom Count | 0 |
Bond Count | 30 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 3-(4-aminocarbonylphenyl)benzoic acid |
Systematic Name (OpenEye OEToolkits) | 3-(4-aminocarbonylphenyl)benzoic acid |
Formula | C14 H11 N O3 |
Molecular Weight | 241.242 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | NC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)N |
Canonical SMILES | CACTVS | 3.385 | NC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)N |
InChI | InChI | 1.03 | InChI=1S/C14H11NO3/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H2,15,16)(H,17,18) |
InChIKey | InChI | 1.03 | NZYMBNSXWYJPEG-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 126484502 |
ChEMBL | CHEMBL4159007 |