methyl 6-ethenyl-1,8-dimethoxy-3-[(1E,3E)-penta-1,3-dienyl]isoquinoline-7-carboxylate

Systemtic Name: methyl 6-ethenyl-1,8-dimethoxy-3-[(1E,3E)-penta-1,3-dienyl]isoquinoline-7-carboxylate Openeye Name: methyl 1,8-dimethoxy-3-[(1E,3E)-penta-1,3-dienyl]-6-vinyl-isoquinoline-7-carboxylate CAS Name: 6-ethenyl-1,8-dimethoxy-3-[(1E,3E)-penta-1,3-dienyl]-7-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-ethenyl-1,8-dimethoxy-3-[(1E,3E)-penta-1,3-dienyl]isoquinoline-7-carboxylate Traditional Name: 1,8-dimethoxy-3-[(1E,3E)-penta-1,3-dienyl]-6-vinyl-isoquinoline-7-carboxylic acid methyl ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC1=CC2=CC(=C(C(=C2C(=N1)OC)OC)C(=O)OC)C=C

Isomeric SMILES

C/C=C/C=C/C1=CC2=CC(=C(C(=C2C(=N1)OC)OC)C(=O)OC)C=C

InChI

InChI=1S/C20H21NO4/c1-6-8-9-10-15-12-14-11-13(7-2)17(20(22)25-5)18(23-3)16(14)19(21-15)24-4/h6-12H,2H2,1,3-5H3/b8-6+,10-9+