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

Systemtic Name: 6-bromanyl-1-oxidanylidene-2-[[4-(2-oxidanylpropylcarbamoyl)phenyl]methyl]-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(2-hydroxypropylcarbamoyl)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[(2-hydroxypropylamino)-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(2-hydroxypropylcarbamoyl)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-(2-hydroxypropylcarbamoyl)benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C27H23BrN2O5 MolecularWeight: 535.38592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23BrN2O5/c1-16(31)14-29-25(32)19-9-7-17(8-10-19)15-30-24(27(34)35)23(18-5-3-2-4-6-18)22-13-20(28)11-12-21(22)26(30)33/h2-13,16,31H,14-15H2,1H3,(H,29,32)(H,34,35)