[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-[(4-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H22ClNO5 MolecularWeight: 391.84538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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