[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 4-(2-methoxy-5-methyl-phenyl)-4-oxo-butanoate CAS Name: 4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 4-(2-methoxy-5-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methoxy-5-methyl-phenyl)butyric acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C23H23FN2O5 MolecularWeight: 426.437523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2F

InChI

InChI=1S/C23H23FN2O5/c1-16-8-10-21(30-2)17(14-16)20(27)9-11-23(29)31-15-22(28)26(13-5-12-25)19-7-4-3-6-18(19)24/h3-4,6-8,10,14H,5,9,11,13,15H2,1-2H3