[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 3,4,5-trimethoxybenzoate Openeye Name: [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic 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] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C21H29NO6 MolecularWeight: 391.45806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

C[C@H](C(=O)NCCC1=CCCCC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H29NO6/c1-14(20(23)22-11-10-15-8-6-5-7-9-15)28-21(24)16-12-17(25-2)19(27-4)18(13-16)26-3/h8,12-14H,5-7,9-11H2,1-4H3,(H,22,23)/t14-/m1/s1