2-[4-(azepan-1-yl)phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-(azepan-1-yl)phenyl]carbonylbenzoic acid Openeye Name: 2-[4-(azepan-1-yl)benzoyl]benzoic acid CAS Name: 2-[[4-(1-azepanyl)phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(azepan-1-yl)benzoyl]benzoic acid Traditional Name: 2-[4-(azepan-1-yl)benzoyl]benzoic acid Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3/c22-19(17-7-3-4-8-18(17)20(23)24)15-9-11-16(12-10-15)21-13-5-1-2-6-14-21/h3-4,7-12H,1-2,5-6,13-14H2,(H,23,24)