2-ethyl-3-naphthalen-2-yl-5-oxidanylidene-4-phenyl-1-(phenylmethyl)-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid

Systemtic Name: 2-ethyl-3-naphthalen-2-yl-5-oxidanylidene-4-phenyl-1-(phenylmethyl)-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid Openeye Name: 1-benzyl-2-ethyl-3-(2-naphthyl)-5-oxo-4-phenyl-2-pyrrolidin-3-yl-piperidine-4-carboxylic acid CAS Name: 2-ethyl-3-(2-naphthalenyl)-5-oxo-4-phenyl-1-(phenylmethyl)-2-(3-pyrrolidinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-2-ethyl-3-naphthalen-2-yl-5-oxo-4-phenyl-2-pyrrolidin-3-ylpiperidine-4-carboxylic acid Traditional Name: 1-benzyl-2-ethyl-5-keto-3-(2-naphthyl)-4-phenyl-2-pyrrolidin-3-yl-isonipecotic acid Formula: C35H36N2O3 MolecularWeight: 532.67194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(C(=O)CN1CC2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O)C4=CC5=CC=CC=C5C=C4)C6CCNC6

Isomeric SMILES

CCC1(C(C(C(=O)CN1CC2=CC=CC=C2)(C3=CC=CC=C3)C(=O)O)C4=CC5=CC=CC=C5C=C4)C6CCNC6

InChI

InChI=1S/C35H36N2O3/c1-2-34(30-19-20-36-22-30)32(28-18-17-26-13-9-10-14-27(26)21-28)35(33(39)40,29-15-7-4-8-16-29)31(38)24-37(34)23-25-11-5-3-6-12-25/h3-18,21,30,32,36H,2,19-20,22-24H2,1H3,(H,39,40)