ethyl (3S)-3-[(2-methylphenyl)methyl]-1-[2-(2-oxidanylidenepiperidin-1-yl)ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-[2-(2-oxidanylidenepiperidin-1-yl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-(o-tolylmethyl)-1-[2-(2-oxo-1-piperidyl)acetyl]piperidine-3-carboxylate CAS Name: (3S)-3-[(2-methylphenyl)methyl]-1-[1-oxo-2-(2-oxo-1-piperidinyl)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-methylphenyl)methyl]-1-[2-(2-oxopiperidin-1-yl)acetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(2-ketopiperidino)acetyl]-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C23H32N2O4 MolecularWeight: 400.51118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CN2CCCCC2=O)CC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CN2CCCCC2=O)CC3=CC=CC=C3C

InChI

InChI=1S/C23H32N2O4/c1-3-29-22(28)23(15-19-10-5-4-9-18(19)2)12-8-14-25(17-23)21(27)16-24-13-7-6-11-20(24)26/h4-5,9-10H,3,6-8,11-17H2,1-2H3/t23-/m0/s1