[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-methyl-benzoate

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 3-methoxy-4-methyl-benzoate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-4-methylbenzoic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N(C)CCC#N)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)N(C)CCC#N)OC

InChI

InChI=1S/C16H20N2O4/c1-11-6-7-13(10-14(11)21-4)16(20)22-12(2)15(19)18(3)9-5-8-17/h6-7,10,12H,5,9H2,1-4H3/t12-/m1/s1