[(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-methoxy-4-propoxy-benzoate

Systemtic Name: [(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 3-methoxy-4-propoxy-benzoate Openeye Name: [(1R)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 3-methoxy-4-propoxy-benzoate CAS Name: 3-methoxy-4-propoxybenzoic acid [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 3-methoxy-4-propoxybenzoate Traditional Name: 3-methoxy-4-propoxy-benzoic acid [(1R)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2CCCCC2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)NCC2CCCCC2)OC

InChI

InChI=1S/C21H31NO5/c1-4-12-26-18-11-10-17(13-19(18)25-3)21(24)27-15(2)20(23)22-14-16-8-6-5-7-9-16/h10-11,13,15-16H,4-9,12,14H2,1-3H3,(H,22,23)/t15-/m1/s1