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

Systemtic Name: ethyl 4-[2-[[[2-(azepan-1-yl)phenyl]-phenyl-methyl]amino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoate Openeye Name: ethyl 4-[2-[[[2-(azepan-1-yl)phenyl]-phenyl-methyl]amino]-2-oxo-ethyl]-2-ethoxy-benzoate CAS Name: 4-[2-[[[2-(1-azepanyl)phenyl]-phenylmethyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[[[2-(azepan-1-yl)phenyl]-phenylmethyl]amino]-2-oxoethyl]-2-ethoxybenzoate Traditional Name: 4-[2-[[[2-(azepan-1-yl)phenyl]-phenyl-methyl]amino]-2-keto-ethyl]-2-ethoxy-benzoic acid ethyl ester Formula: C32H38N2O4 MolecularWeight: 514.65512

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C32H38N2O4/c1-3-37-29-22-24(18-19-27(29)32(36)38-4-2)23-30(35)33-31(25-14-8-7-9-15-25)26-16-10-11-17-28(26)34-20-12-5-6-13-21-34/h7-11,14-19,22,31H,3-6,12-13,20-21,23H2,1-2H3,(H,33,35)