6-bromanyl-2-[(2,5-dimethoxyphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(2,5-dimethoxyphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[(2,5-dimethoxyphenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[(2,5-dimethoxyphenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(2,5-dimethoxyphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-(2,5-dimethoxybenzyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C25H20BrNO5 MolecularWeight: 494.334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H20BrNO5/c1-31-18-9-11-21(32-2)16(12-18)14-27-23(25(29)30)22(15-6-4-3-5-7-15)20-13-17(26)8-10-19(20)24(27)28/h3-13H,14H2,1-2H3,(H,29,30)