ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-pent-4-enoyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-pent-4-enoyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-pent-4-enoyl-piperidine-3-carboxylate CAS Name: (3S)-3-[(3-chlorophenyl)methyl]-1-(1-oxopent-4-enyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(3-chlorophenyl)methyl]-1-pent-4-enoylpiperidine-3-carboxylate Traditional Name: (3S)-3-(3-chlorobenzyl)-1-pent-4-enoyl-nipecotic acid ethyl ester Formula: C20H26ClNO3 MolecularWeight: 363.87834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClNO3/c1-3-5-10-18(23)22-12-7-11-20(15-22,19(24)25-4-2)14-16-8-6-9-17(21)13-16/h3,6,8-9,13H,1,4-5,7,10-12,14-15H2,2H3/t20-/m0/s1