ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(5-methoxy-5-oxidanylidene-pentanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(5-methoxy-5-oxidanylidene-pentanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(5-methoxy-5-oxo-pentanoyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-(5-methoxy-1,5-dioxopentyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-(5-methoxy-5-oxopentanoyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-(5-keto-5-methoxy-pentanoyl)nipecotic acid ethyl ester Formula: C21H28ClNO5 MolecularWeight: 409.90372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)CCCC(=O)OC)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)CCCC(=O)OC)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C21H28ClNO5/c1-3-28-20(26)21(14-16-7-4-8-17(22)13-16)11-6-12-23(15-21)18(24)9-5-10-19(25)27-2/h4,7-8,13H,3,5-6,9-12,14-15H2,1-2H3/t21-/m0/s1