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

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-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] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4/c1-10-5-6-12(13(18)9-10)15(20)21-11(2)14(19)17(3)8-4-7-16/h5-6,9,11,18H,4,8H2,1-3H3/t11-/m1/s1