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

Systemtic Name: 6-bromanyl-2-[[4-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-[(2-methoxy-2-oxo-ethyl)carbamoyl]phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[[(2-methoxy-2-oxoethyl)amino]-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-[4-[(2-keto-2-methoxy-ethyl)carbamoyl]benzyl]-4-phenyl-isoquinoline-3-carboxylic acid Formula: C27H21BrN2O6 MolecularWeight: 549.36944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=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

COC(=O)CNC(=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/C27H21BrN2O6/c1-36-22(31)14-29-25(32)18-9-7-16(8-10-18)15-30-24(27(34)35)23(17-5-3-2-4-6-17)21-13-19(28)11-12-20(21)26(30)33/h2-13H,14-15H2,1H3,(H,29,32)(H,34,35)