4-[2-[[[2-(azepan-1-yl)phenyl]-phenyl-methyl]amino]-2-oxidanylidene-ethyl]-2-methoxy-benzoic acid

Systemtic Name: 4-[2-[[[2-(azepan-1-yl)phenyl]-phenyl-methyl]amino]-2-oxidanylidene-ethyl]-2-methoxy-benzoic acid Openeye Name: 4-[2-[[[2-(azepan-1-yl)phenyl]-phenyl-methyl]amino]-2-oxo-ethyl]-2-methoxy-benzoic acid CAS Name: 4-[2-[[[2-(1-azepanyl)phenyl]-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzoic acid IUPAC Name: 4-[2-[[[2-(azepan-1-yl)phenyl]-phenylmethyl]amino]-2-oxoethyl]-2-methoxybenzoic acid Traditional Name: 4-[2-[[[2-(azepan-1-yl)phenyl]-phenyl-methyl]amino]-2-keto-ethyl]-2-methoxy-benzoic acid Formula: C29H32N2O4 MolecularWeight: 472.57538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3N4CCCCCC4)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3N4CCCCCC4)C(=O)O

InChI

InChI=1S/C29H32N2O4/c1-35-26-19-21(15-16-24(26)29(33)34)20-27(32)30-28(22-11-5-4-6-12-22)23-13-7-8-14-25(23)31-17-9-2-3-10-18-31/h4-8,11-16,19,28H,2-3,9-10,17-18,20H2,1H3,(H,30,32)(H,33,34)