[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-(3-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-(3-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H22ClNO5 MolecularWeight: 391.84538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)CCC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)COC(=O)CCC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C20H22ClNO5/c1-13-17(21)5-4-6-18(13)22-19(23)12-27-20(24)8-7-14-9-15(25-2)11-16(10-14)26-3/h4-6,9-11H,7-8,12H2,1-3H3,(H,22,23)