[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)OCC(=O)N2CCC3=CC=CC=C3C2)OC)OC

InChI

InChI=1S/C21H23NO6/c1-25-17-9-8-16(19(26-2)20(17)27-3)21(24)28-13-18(23)22-11-10-14-6-4-5-7-15(14)12-22/h4-9H,10-13H2,1-3H3