phenethyl 4-(3,4-dichlorophenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: phenethyl 4-(3,4-dichlorophenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: phenethyl 4-(3,4-dichlorophenyl)-2-methylene-6-oxo-piperidine-3-carboxylate CAS Name: 4-(3,4-dichlorophenyl)-2-methylene-6-oxo-3-piperidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3,4-dichlorophenyl)-2-methylidene-6-oxopiperidine-3-carboxylate Traditional Name: 4-(3,4-dichlorophenyl)-6-keto-2-methylene-nipecotic acid phenethyl ester Formula: C21H19Cl2NO3 MolecularWeight: 404.28646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(CC(=O)N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C=C1C(C(CC(=O)N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H19Cl2NO3/c1-13-20(21(26)27-10-9-14-5-3-2-4-6-14)16(12-19(25)24-13)15-7-8-17(22)18(23)11-15/h2-8,11,16,20H,1,9-10,12H2,(H,24,25)