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

Systemtic Name: 4-[2-[[[2-(azepan-1-yl)phenyl]-phenyl-methyl]amino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoic acid Openeye Name: 4-[2-[[[2-(azepan-1-yl)phenyl]-phenyl-methyl]amino]-2-oxo-ethyl]-2-ethoxy-benzoic acid CAS Name: 4-[2-[[[2-(1-azepanyl)phenyl]-phenylmethyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid IUPAC Name: 4-[2-[[[2-(azepan-1-yl)phenyl]-phenylmethyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid Traditional Name: 4-[2-[[[2-(azepan-1-yl)phenyl]-phenyl-methyl]amino]-2-keto-ethyl]-2-ethoxy-benzoic acid Formula: C30H34N2O4 MolecularWeight: 486.60196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3N4CCCCCC4)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3N4CCCCCC4)C(=O)O

InChI

InChI=1S/C30H34N2O4/c1-2-36-27-20-22(16-17-25(27)30(34)35)21-28(33)31-29(23-12-6-5-7-13-23)24-14-8-9-15-26(24)32-18-10-3-4-11-19-32/h5-9,12-17,20,29H,2-4,10-11,18-19,21H2,1H3,(H,31,33)(H,34,35)