ethyl (3S)-1-[(4-methoxycarbonylphenyl)carbamoyl]-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(4-methoxycarbonylphenyl)carbamoyl]-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-[(4-methoxycarbonylphenyl)carbamoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(4-methoxycarbonylanilino)-oxomethyl]-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-[(4-methoxycarbonylphenyl)carbamoyl]piperidine-3-carboxylate Traditional Name: (3S)-3-benzyl-1-[(4-carbomethoxyphenyl)carbamoyl]nipecotic acid ethyl ester Formula: C24H28N2O5 MolecularWeight: 424.48952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)NC2=CC=C(C=C2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O5/c1-3-31-22(28)24(16-18-8-5-4-6-9-18)14-7-15-26(17-24)23(29)25-20-12-10-19(11-13-20)21(27)30-2/h4-6,8-13H,3,7,14-17H2,1-2H3,(H,25,29)/t24-/m0/s1