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

Systemtic Name: 6-bromanyl-2-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(2-methoxyethoxymethoxy)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-[4-(2-methoxyethoxymethoxy)benzyl]-4-phenyl-isoquinoline-3-carboxylic acid Formula: C27H24BrNO6 MolecularWeight: 538.38656

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COCCOCOC1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H24BrNO6/c1-33-13-14-34-17-35-21-10-7-18(8-11-21)16-29-25(27(31)32)24(19-5-3-2-4-6-19)23-15-20(28)9-12-22(23)26(29)30/h2-12,15H,13-14,16-17H2,1H3,(H,31,32)