[(S)-1,3-benzodioxol-5-yl-(5,6,7-trimethoxyisoquinolin-1-yl)methyl] benzoate

Systemtic Name: [(S)-1,3-benzodioxol-5-yl-(5,6,7-trimethoxyisoquinolin-1-yl)methyl] benzoate Openeye Name: [(S)-1,3-benzodioxol-5-yl-(5,6,7-trimethoxy-1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [(S)-1,3-benzodioxol-5-yl-(5,6,7-trimethoxy-1-isoquinolinyl)methyl] ester IUPAC Name: [(S)-1,3-benzodioxol-5-yl-(5,6,7-trimethoxyisoquinolin-1-yl)methyl] benzoate Traditional Name: benzoic acid [(S)-1,3-benzodioxol-5-yl-(5,6,7-trimethoxy-1-isoquinolyl)methyl] ester Formula: C27H23NO7 MolecularWeight: 473.47402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C=CN=C(C2=C1)C(C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC=CC=C5)OC)OC

Isomeric SMILES

COC1=C(C(=C2C=CN=C(C2=C1)[C@H](C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC=CC=C5)OC)OC

InChI

InChI=1S/C27H23NO7/c1-30-22-14-19-18(25(31-2)26(22)32-3)11-12-28-23(19)24(35-27(29)16-7-5-4-6-8-16)17-9-10-20-21(13-17)34-15-33-20/h4-14,24H,15H2,1-3H3/t24-/m0/s1