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

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(butylamino)benzoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C21H23N3O3/c1-3-4-13-23-19-12-8-6-10-17(19)21(26)27-15(2)20(25)24-18-11-7-5-9-16(18)14-22/h5-12,15,23H,3-4,13H2,1-2H3,(H,24,25)