methyl 4-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3S)-3-[2-(o-tolyl)ethyl]-1-piperidyl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-[2-(2-methylphenyl)ethyl]-1-piperidinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(3S)-3-[2-(o-tolyl)ethyl]piperidino]butyric acid methyl ester Formula: C19H27NO3 MolecularWeight: 317.42258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC2CCCN(C2)C(=O)CCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CC[C@H]2CCCN(C2)C(=O)CCC(=O)OC

InChI

InChI=1S/C19H27NO3/c1-15-6-3-4-8-17(15)10-9-16-7-5-13-20(14-16)18(21)11-12-19(22)23-2/h3-4,6,8,16H,5,7,9-14H2,1-2H3/t16-/m1/s1