6-bromanyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-(2,3-dihydrobenzofuran-5-ylmethyl)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-(2,3-dihydrobenzofuran-5-ylmethyl)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-(coumaran-5-ylmethyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C25H18BrNO4 MolecularWeight: 476.31872

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H18BrNO4/c26-18-7-8-19-20(13-18)22(16-4-2-1-3-5-16)23(25(29)30)27(24(19)28)14-15-6-9-21-17(12-15)10-11-31-21/h1-9,12-13H,10-11,14H2,(H,29,30)