6-bromanyl-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-isobutyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-(2-methylpropyl)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-isobutyl-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C20H18BrNO3 MolecularWeight: 400.26582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H18BrNO3/c1-12(2)11-22-18(20(24)25)17(13-6-4-3-5-7-13)16-10-14(21)8-9-15(16)19(22)23/h3-10,12H,11H2,1-2H3,(H,24,25)