[(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-methoxy-4-methyl-benzoate

Systemtic Name: [(2S)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-methoxy-4-methyl-benzoate Openeye Name: [(1S)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-4-methylbenzoic acid [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic acid [(1S)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2CCCCC2)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@@H](C)C(=O)NCC2CCCCC2)OC

InChI

InChI=1S/C19H27NO4/c1-13-9-10-16(11-17(13)23-3)19(22)24-14(2)18(21)20-12-15-7-5-4-6-8-15/h9-11,14-15H,4-8,12H2,1-3H3,(H,20,21)/t14-/m0/s1