[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylphenoxy)butanoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylphenoxy)butanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-(4-methylphenoxy)butanoate CAS Name: 4-(4-methylphenoxy)butanoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-(4-methylphenoxy)butanoate Traditional Name: 4-(4-methylphenoxy)butyric acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-15-8-10-19(11-9-15)26-12-4-7-20(24)27-16(2)21(25)23-18-6-3-5-17(13-18)14-22/h3,5-6,8-11,13,16H,4,7,12H2,1-2H3,(H,23,25)