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

Systemtic Name: 6-bromanyl-1-oxidanylidene-2-[(3-phenoxyphenyl)methyl]-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-2-[(3-phenoxyphenyl)methyl]-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-2-[(3-phenoxyphenyl)methyl]-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-2-[(3-phenoxyphenyl)methyl]-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-(3-phenoxybenzyl)-4-phenyl-isoquinoline-3-carboxylic acid Formula: C29H20BrNO4 MolecularWeight: 526.3774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC(=CC=C4)OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H20BrNO4/c30-21-14-15-24-25(17-21)26(20-9-3-1-4-10-20)27(29(33)34)31(28(24)32)18-19-8-7-13-23(16-19)35-22-11-5-2-6-12-22/h1-17H,18H2,(H,33,34)