[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2,5-dimethoxybenzoate

Systemtic Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 2,5-dimethoxybenzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 2,5-dimethoxybenzoate CAS Name: 2,5-dimethoxybenzoic acid [1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate Traditional Name: 2,5-dimethoxybenzoic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-14(19(22)21-12-11-15-7-5-4-6-8-15)26-20(23)17-13-16(24-2)9-10-18(17)25-3/h7,9-10,13-14H,4-6,8,11-12H2,1-3H3,(H,21,22)