[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(butylamino)benzoate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(butylamino)benzoate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [(1R)-2-(4-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=C(C=C2)C#N

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H23N3O3/c1-3-4-13-23-19-8-6-5-7-18(19)21(26)27-15(2)20(25)24-17-11-9-16(14-22)10-12-17/h5-12,15,23H,3-4,13H2,1-2H3,(H,24,25)/t15-/m1/s1