[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C20H22FNO5 MolecularWeight: 375.390783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=CC(=C(C=C2)OC)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC2=CC(=C(C=C2)OC)OC)F

InChI

InChI=1S/C20H22FNO5/c1-13-4-7-15(11-16(13)21)22-19(23)12-27-20(24)9-6-14-5-8-17(25-2)18(10-14)26-3/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,22,23)