[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methylpropoxy)benzoate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methylpropoxy)benzoate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-isobutoxybenzoate CAS Name: 3-(2-methylpropoxy)benzoic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-(2-methylpropoxy)benzoate Traditional Name: 3-isobutoxybenzoic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C2=CC(=CC=C2)OCC(C)C

InChI

InChI=1S/C21H22N2O4/c1-14(2)13-26-19-9-5-7-17(11-19)21(25)27-15(3)20(24)23-18-8-4-6-16(10-18)12-22/h4-11,14-15H,13H2,1-3H3,(H,23,24)/t15-/m1/s1