[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-pentoxybenzoate

Systemtic Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C25H31NO6/c1-4-5-6-13-31-21-9-7-18(8-10-21)25(28)32-17-24(27)26-12-11-19-14-22(29-2)23(30-3)15-20(19)16-26/h7-10,14-15H,4-6,11-13,16-17H2,1-3H3