ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(furan-2-ylcarbonyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(furan-2-ylcarbonyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-[2-furanyl(oxo)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-(2-furoyl)nipecotic acid ethyl ester Formula: C20H22ClNO4 MolecularWeight: 375.84598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=CO2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC=CO2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H22ClNO4/c1-2-25-19(24)20(13-15-6-3-7-16(21)12-15)9-5-10-22(14-20)18(23)17-8-4-11-26-17/h3-4,6-8,11-12H,2,5,9-10,13-14H2,1H3/t20-/m0/s1