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

Systemtic Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-tert-butylbenzoate Openeye Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO5/c1-24(2,3)19-8-6-16(7-9-19)23(27)30-15-22(26)25-11-10-17-12-20(28-4)21(29-5)13-18(17)14-25/h6-9,12-13H,10-11,14-15H2,1-5H3