[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C20H22ClNO6 MolecularWeight: 407.84478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=CC(=CC(=C2)OC)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=CC(=CC(=C2)OC)OC)Cl

InChI

InChI=1S/C20H22ClNO6/c1-25-15-8-13(9-16(11-15)26-2)4-7-20(24)28-12-19(23)22-14-5-6-18(27-3)17(21)10-14/h5-6,8-11H,4,7,12H2,1-3H3,(H,22,23)