[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [2-[(3-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H22ClNO5 MolecularWeight: 391.84538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCC(=O)NCC2=CC(=CC=C2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCC(=O)NCC2=CC(=CC=C2)Cl)OC

InChI

InChI=1S/C20H22ClNO5/c1-25-17-8-6-14(11-18(17)26-2)7-9-20(24)27-13-19(23)22-12-15-4-3-5-16(21)10-15/h3-6,8,10-11H,7,9,12-13H2,1-2H3,(H,22,23)