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

Systemtic Name: 2-[[2-(azepan-1-ylcarbonyl)phenyl]carbamoyl]benzoic acid Openeye Name: 2-[[2-(azepane-1-carbonyl)phenyl]carbamoyl]benzoic acid CAS Name: 2-[[2-[1-azepanyl(oxo)methyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[2-(azepane-1-carbonyl)phenyl]carbamoyl]benzoic acid Traditional Name: 2-[[2-(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=CC=C2NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3C(=O)O

InChI

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