6-bromanyl-2-butyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCN1C(=C(C2=C(C1=O)C=CC(=C2)Br)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H18BrNO3/c1-2-3-11-22-18(20(24)25)17(13-7-5-4-6-8-13)16-12-14(21)9-10-15(16)19(22)23/h4-10,12H,2-3,11H2,1H3,(H,24,25)