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

Systemtic Name: 6-bromanyl-1-oxidanylidene-4-phenyl-2-(3-phenylpropyl)isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-1-oxo-4-phenyl-2-(3-phenylpropyl)isoquinoline-3-carboxylic acid CAS Name: 6-bromo-1-oxo-4-phenyl-2-(3-phenylpropyl)-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-1-oxo-4-phenyl-2-(3-phenylpropyl)isoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-4-phenyl-2-(3-phenylpropyl)isoquinoline-3-carboxylic acid Formula: C25H20BrNO3 MolecularWeight: 462.3352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H20BrNO3/c26-19-13-14-20-21(16-19)22(18-11-5-2-6-12-18)23(25(29)30)27(24(20)28)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14,16H,7,10,15H2,(H,29,30)