[1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-propan-2-ylbenzoate

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-propan-2-ylbenzoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H26N2O3 MolecularWeight: 330.42134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)OC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C19H26N2O3/c1-12(2)15-7-9-16(10-8-15)18(23)24-14(5)17(22)21-19(6,11-20)13(3)4/h7-10,12-14H,1-6H3,(H,21,22)