3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethoxy-4-[phenyl-(2-piperidin-1-ylphenyl)methyl]benzoic acid

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-2-ethoxy-4-[phenyl-(2-piperidin-1-ylphenyl)methyl]benzoic acid Openeye Name: 3-(2-amino-2-oxo-ethyl)-2-ethoxy-4-[phenyl-[2-(1-piperidyl)phenyl]methyl]benzoic acid CAS Name: 3-(2-amino-2-oxoethyl)-2-ethoxy-4-[phenyl-[2-(1-piperidinyl)phenyl]methyl]benzoic acid IUPAC Name: 3-(2-amino-2-oxoethyl)-2-ethoxy-4-[phenyl-(2-piperidin-1-ylphenyl)methyl]benzoic acid Traditional Name: 3-(2-amino-2-keto-ethyl)-2-ethoxy-4-[phenyl-(2-piperidinophenyl)methyl]benzoic acid Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1CC(=O)N)C(C2=CC=CC=C2)C3=CC=CC=C3N4CCCCC4)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1CC(=O)N)C(C2=CC=CC=C2)C3=CC=CC=C3N4CCCCC4)C(=O)O

InChI

InChI=1S/C29H32N2O4/c1-2-35-28-23(29(33)34)16-15-21(24(28)19-26(30)32)27(20-11-5-3-6-12-20)22-13-7-8-14-25(22)31-17-9-4-10-18-31/h3,5-8,11-16,27H,2,4,9-10,17-19H2,1H3,(H2,30,32)(H,33,34)