[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NCCC2=CCCCC2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NCCC2=CCCCC2)OC)OC

InChI

InChI=1S/C20H27NO6/c1-24-16-12-18(26-3)17(25-2)11-15(16)20(23)27-13-19(22)21-10-9-14-7-5-4-6-8-14/h7,11-12H,4-6,8-10,13H2,1-3H3,(H,21,22)