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

Systemtic Name: 6-bromanyl-2-[[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(3-methoxy-3-oxo-propyl)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-(3-methoxy-3-oxopropyl)phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(3-methoxy-3-oxopropyl)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-[4-(3-keto-3-methoxy-propyl)benzyl]-4-phenyl-isoquinoline-3-carboxylic acid Formula: C27H22BrNO5 MolecularWeight: 520.37128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H22BrNO5/c1-34-23(30)14-11-17-7-9-18(10-8-17)16-29-25(27(32)33)24(19-5-3-2-4-6-19)22-15-20(28)12-13-21(22)26(29)31/h2-10,12-13,15H,11,14,16H2,1H3,(H,32,33)