2-[[4-(azepan-1-ylcarbonyl)phenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[4-(azepan-1-ylcarbonyl)phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[4-(azepane-1-carbonyl)phenyl]carbamoyl]benzoic acid CAS Name: 2-[[4-[1-azepanyl(oxo)methyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[4-(azepane-1-carbonyl)phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[4-(azepane-1-carbonyl)phenyl]carbamoyl]benzoic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H22N2O4/c24-19(17-7-3-4-8-18(17)21(26)27)22-16-11-9-15(10-12-16)20(25)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,24)(H,26,27)