4-[2-[1-[2-(azepan-1-yl)phenyl]ethylamino]-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[2-[1-[2-(azepan-1-yl)phenyl]ethylamino]-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-[1-[2-(azepan-1-yl)phenyl]ethylamino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-[1-[2-(1-azepanyl)phenyl]ethylamino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[1-[2-(azepan-1-yl)phenyl]ethylamino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-[1-[2-(azepan-1-yl)phenyl]ethylamino]-2-keto-ethyl]benzoic acid Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1N2CCCCCC2)NC(=O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1N2CCCCCC2)NC(=O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H28N2O3/c1-17(24-22(26)16-18-10-12-19(13-11-18)23(27)28)20-8-4-5-9-21(20)25-14-6-2-3-7-15-25/h4-5,8-13,17H,2-3,6-7,14-16H2,1H3,(H,24,26)(H,27,28)