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

Systemtic Name: 6-bromanyl-2-[[4-(2-hydroxyethylcarbamoyl)phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-(2-hydroxyethylcarbamoyl)phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[(2-hydroxyethylamino)-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-(2-hydroxyethylcarbamoyl)phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-(2-hydroxyethylcarbamoyl)benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C26H21BrN2O5 MolecularWeight: 521.35934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)C(=O)NCCO)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=C(C=C3)Br)CC4=CC=C(C=C4)C(=O)NCCO)C(=O)O

InChI

InChI=1S/C26H21BrN2O5/c27-19-10-11-20-21(14-19)22(17-4-2-1-3-5-17)23(26(33)34)29(25(20)32)15-16-6-8-18(9-7-16)24(31)28-12-13-30/h1-11,14,30H,12-13,15H2,(H,28,31)(H,33,34)