[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methylbenzoate

Systemtic Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methylbenzoate Openeye Name: [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(2R)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC(C)C(=O)NCCC2=CCCCC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)O[C@H](C)C(=O)NCCC2=CCCCC2

InChI

InChI=1S/C19H25NO3/c1-14-7-6-10-17(13-14)19(22)23-15(2)18(21)20-12-11-16-8-4-3-5-9-16/h6-8,10,13,15H,3-5,9,11-12H2,1-2H3,(H,20,21)/t15-/m1/s1