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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21BrN2O5/c1-2-34-28-24(30)18-10-8-16(9-11-18)15-29-23(26(32)33)22(17-6-4-3-5-7-17)21-14-19(27)12-13-20(21)25(29)31/h3-14H,2,15H2,1H3,(H,28,30)(H,32,33)