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

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-[(4-phenylphenyl)methyl]isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-[(4-phenylphenyl)methyl]isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-4-phenyl-2-[(4-phenylphenyl)methyl]-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-[(4-phenylphenyl)methyl]isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-(4-phenylbenzyl)isoquinoline-3-carboxylic acid Formula: C29H20BrNO3 MolecularWeight: 510.378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H20BrNO3/c30-23-15-16-24-25(17-23)26(22-9-5-2-6-10-22)27(29(33)34)31(28(24)32)18-19-11-13-21(14-12-19)20-7-3-1-4-8-20/h1-17H,18H2,(H,33,34)