[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-cyanobenzoate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H22N2O3/c1-4-14(2)18-10-5-6-11-19(18)23-20(24)15(3)26-21(25)17-9-7-8-16(12-17)13-22/h5-12,14-15H,4H2,1-3H3,(H,23,24)