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

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC(C)C(=O)N(C)C2(CCCCC2)C#N)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O[C@H](C)C(=O)N(C)C2(CCCCC2)C#N)O

InChI

InChI=1S/C19H24N2O4/c1-13-7-8-15(16(22)11-13)18(24)25-14(2)17(23)21(3)19(12-20)9-5-4-6-10-19/h7-8,11,14,22H,4-6,9-10H2,1-3H3/t14-/m1/s1