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

Systemtic Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C24H29NO6/c1-4-5-12-30-20-8-6-17(7-9-20)24(27)31-16-23(26)25-11-10-18-13-21(28-2)22(29-3)14-19(18)15-25/h6-9,13-14H,4-5,10-12,15-16H2,1-3H3