2-[[2-(1-ethanoylpiperidin-4-yl)-2-(4-naphthalen-1-ylphenyl)ethyl]-phenethyl-amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[2-(1-ethanoylpiperidin-4-yl)-2-(4-naphthalen-1-ylphenyl)ethyl]-phenethyl-amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[[2-(1-acetyl-4-piperidyl)-2-[4-(1-naphthyl)phenyl]ethyl]-phenethyl-amino]-2-oxo-acetic acid CAS Name: 2-[[2-(1-acetyl-4-piperidinyl)-2-[4-(1-naphthalenyl)phenyl]ethyl]-phenethylamino]-2-oxoacetic acid IUPAC Name: 2-[[2-(1-acetylpiperidin-4-yl)-2-(4-naphthalen-1-ylphenyl)ethyl]-phenethylamino]-2-oxoacetic acid Traditional Name: 2-[[2-(1-acetyl-4-piperidyl)-2-[4-(1-naphthyl)phenyl]ethyl]-phenethyl-amino]-2-keto-acetic acid Formula: C35H36N2O4 MolecularWeight: 548.67134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(CN(CCC2=CC=CC=C2)C(=O)C(=O)O)C3=CC=C(C=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(=O)N1CCC(CC1)C(CN(CCC2=CC=CC=C2)C(=O)C(=O)O)C3=CC=C(C=C3)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C35H36N2O4/c1-25(38)36-22-19-30(20-23-36)33(24-37(34(39)35(40)41)21-18-26-8-3-2-4-9-26)29-16-14-28(15-17-29)32-13-7-11-27-10-5-6-12-31(27)32/h2-17,30,33H,18-24H2,1H3,(H,40,41)