(3S)-1-[2-[(3R)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[2-[(3R)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[2-[(3R)-5-(2-naphthyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[2-[(3R)-5-(2-naphthalenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[2-[(3R)-5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[2-keto-2-[(5R)-3-(2-naphthyl)-5-phenyl-2-pyrazolin-1-yl]ethyl]nipecotic acid Formula: C27H27N3O3 MolecularWeight: 441.52158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)N2C(CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)CC(=O)N2[C@H](CC(=N2)C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H27N3O3/c31-26(18-29-14-6-11-23(17-29)27(32)33)30-25(20-8-2-1-3-9-20)16-24(28-30)22-13-12-19-7-4-5-10-21(19)15-22/h1-5,7-10,12-13,15,23,25H,6,11,14,16-18H2,(H,32,33)/t23-,25+/m0/s1