[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methylpropoxy)benzoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methylpropoxy)benzoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-isobutoxybenzoate CAS Name: 3-(2-methylpropoxy)benzoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 3-(2-methylpropoxy)benzoate Traditional Name: 3-isobutoxybenzoic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C21H22N2O4/c1-14(2)13-26-18-9-6-8-16(11-18)21(25)27-15(3)20(24)23-19-10-5-4-7-17(19)12-22/h4-11,14-15H,13H2,1-3H3,(H,23,24)