[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl] 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-chlorobenzoyl)amino]propionic acid [2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl] ester Formula: C19H25ClN2O4 MolecularWeight: 380.8658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C19H25ClN2O4/c1-13-9-14(2)11-22(10-13)17(23)12-26-18(24)7-8-21-19(25)15-3-5-16(20)6-4-15/h3-6,13-14H,7-12H2,1-2H3,(H,21,25)/t13-,14-/m1/s1