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

Systemtic Name: [1-[(2-cyano-3-methyl-butan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dimethoxybenzoate Openeye Name: [2-[(1-cyano-1,2-dimethyl-propyl)amino]-1-methyl-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic 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] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5/c1-11(2)18(4,10-19)20-16(21)12(3)25-17(22)13-7-8-14(23-5)15(9-13)24-6/h7-9,11-12H,1-6H3,(H,20,21)