(10,11-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-yl) 2-phenylethanoate

Systemtic Name: (10,11-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-yl) 2-phenylethanoate Openeye Name: (10,11-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-yl) 2-phenylacetate CAS Name: 2-phenylacetic acid (10,11-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-yl) ester IUPAC Name: (10,11-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-yl) 2-phenylacetate Traditional Name: 2-phenylacetic acid (10,11-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolin[2,1-b]isoquinolin-3-yl) ester Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN3CCC4=C(C3CC2=C1)C=CC(=C4)OC(=O)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN3CCC4=C(C3CC2=C1)C=CC(=C4)OC(=O)CC5=CC=CC=C5)OC

InChI

InChI=1S/C27H27NO4/c1-30-25-15-20-14-24-23-9-8-22(32-27(29)12-18-6-4-3-5-7-18)13-19(23)10-11-28(24)17-21(20)16-26(25)31-2/h3-9,13,15-16,24H,10-12,14,17H2,1-2H3