[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 4-(2-methoxy-5-methyl-phenyl)-4-oxo-butanoate CAS Name: 4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 4-(2-methoxy-5-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methoxy-5-methyl-phenyl)butyric acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H20N2O5/c1-14-6-8-19(27-2)17(10-14)18(24)7-9-21(26)28-13-20(25)23-16-5-3-4-15(11-16)12-22/h3-6,8,10-11H,7,9,13H2,1-2H3,(H,23,25)