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

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-4-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-(3,4,5-trimethoxybenzyl)isoquinoline-3-carboxylic acid Formula: C26H22BrNO6 MolecularWeight: 524.35998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H22BrNO6/c1-32-20-11-15(12-21(33-2)24(20)34-3)14-28-23(26(30)31)22(16-7-5-4-6-8-16)19-13-17(27)9-10-18(19)25(28)29/h4-13H,14H2,1-3H3,(H,30,31)