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

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-butylbenzoate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C21H22N2O3/c1-3-4-7-16-10-12-17(13-11-16)21(25)26-15(2)20(24)23-19-9-6-5-8-18(19)14-22/h5-6,8-13,15H,3-4,7H2,1-2H3,(H,23,24)/t15-/m1/s1