butyl 4-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]oxybenzoate

Systemtic Name: butyl 4-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]oxybenzoate Openeye Name: butyl 4-[(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 4-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]oxybenzoic acid butyl ester IUPAC Name: butyl 4-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 4-[(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethoxy]benzoic acid butyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC(C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)O[C@H](C)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H22N2O4/c1-3-4-12-26-21(25)17-8-10-19(11-9-17)27-15(2)20(24)23-18-7-5-6-16(13-18)14-22/h5-11,13,15H,3-4,12H2,1-2H3,(H,23,24)/t15-/m1/s1