ethyl (3S)-1-[2-(cyclohexen-1-yl)ethanoyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(cyclohexen-1-yl)ethanoyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(cyclohexen-1-yl)acetyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-(1-cyclohexenyl)-1-oxoethyl]-3-[(3-methoxyphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(cyclohexen-1-yl)acetyl]-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(cyclohexen-1-yl)acetyl]-3-m-anisyl-nipecotic acid ethyl ester Formula: C24H33NO4 MolecularWeight: 399.52312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CC2=CCCCC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CC2=CCCCC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C24H33NO4/c1-3-29-23(27)24(17-20-11-7-12-21(15-20)28-2)13-8-14-25(18-24)22(26)16-19-9-5-4-6-10-19/h7,9,11-12,15H,3-6,8,10,13-14,16-18H2,1-2H3/t24-/m0/s1