[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpropoxy)benzoate

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpropoxy)benzoate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OC(C)C(=O)N(C)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-13(2)12-23-16-8-6-15(7-9-16)18(22)24-14(3)17(21)20(4)11-5-10-19/h6-9,13-14H,5,11-12H2,1-4H3/t14-/m1/s1