(2-isoquinolin-1-yl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-yl) benzoate

Systemtic Name: (2-isoquinolin-1-yl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-yl) benzoate Openeye Name: [2-(1-isoquinolyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-yl] benzoate CAS Name: benzoic acid [2-(1-isoquinolinyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-yl] ester IUPAC Name: (2-isoquinolin-1-yl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-yl) benzoate Traditional Name: benzoic acid [2-(1-isoquinolyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-yl] ester Formula: C31H30N2O4 MolecularWeight: 494.5809

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C3CC(CCN3CCC2=C1)(C4=NC=CC5=CC=CC=C54)OC(=O)C6=CC=CC=C6)OC

Isomeric SMILES

COC1=C(C=C2C3CC(CCN3CCC2=C1)(C4=NC=CC5=CC=CC=C54)OC(=O)C6=CC=CC=C6)OC

InChI

InChI=1S/C31H30N2O4/c1-35-27-18-23-13-16-33-17-14-31(20-26(33)25(23)19-28(27)36-2,37-30(34)22-9-4-3-5-10-22)29-24-11-7-6-8-21(24)12-15-32-29/h3-12,15,18-19,26H,13-14,16-17,20H2,1-2H3