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

Systemtic Name: 2-[4-(azepan-1-yl)-2-oxidanyl-phenyl]carbonylbenzoic acid Openeye Name: 2-[4-(azepan-1-yl)-2-hydroxy-benzoyl]benzoic acid CAS Name: 2-[[4-(1-azepanyl)-2-hydroxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(azepan-1-yl)-2-hydroxybenzoyl]benzoic acid Traditional Name: 2-[4-(azepan-1-yl)-2-hydroxy-benzoyl]benzoic acid Formula: C20H21NO4 MolecularWeight: 339.38504

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4/c22-18-13-14(21-11-5-1-2-6-12-21)9-10-17(18)19(23)15-7-3-4-8-16(15)20(24)25/h3-4,7-10,13,22H,1-2,5-6,11-12H2,(H,24,25)