methyl 5-oxidanylidene-5-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]pentanoate

Systemtic Name: methyl 5-oxidanylidene-5-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]pentanoate Openeye Name: methyl 5-[(3S)-3-(4-isopropylanilino)-1-piperidyl]-5-oxo-pentanoate CAS Name: 5-oxo-5-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]pentanoic acid methyl ester IUPAC Name: methyl 5-oxo-5-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]pentanoate Traditional Name: 5-[(3S)-3-cumidinopiperidino]-5-keto-valeric acid methyl ester Formula: C20H30N2O3 MolecularWeight: 346.4638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2CCCN(C2)C(=O)CCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-15(2)16-9-11-17(12-10-16)21-18-6-5-13-22(14-18)19(23)7-4-8-20(24)25-3/h9-12,15,18,21H,4-8,13-14H2,1-3H3/t18-/m0/s1