methyl 5-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[(3S)-3-[methyl(phenethyl)amino]-1-piperidyl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-[methyl(phenethyl)amino]-1-piperidinyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[(3S)-3-[methyl(phenethyl)amino]piperidin-1-yl]-5-oxopentanoate Traditional Name: 5-keto-5-[(3S)-3-[methyl(phenethyl)amino]piperidino]valeric acid methyl ester Formula: C20H30N2O3 MolecularWeight: 346.4638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)C2CCCN(C2)C(=O)CCCC(=O)OC

Isomeric SMILES

CN(CCC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CCCC(=O)OC

InChI

InChI=1S/C20H30N2O3/c1-21(15-13-17-8-4-3-5-9-17)18-10-7-14-22(16-18)19(23)11-6-12-20(24)25-2/h3-5,8-9,18H,6-7,10-16H2,1-2H3/t18-/m0/s1