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

Systemtic Name: 6-bromanyl-2-[[4-[(4-methoxy-4-oxidanylidene-butyl)carbamoyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-[(4-methoxy-4-oxo-butyl)carbamoyl]phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[[(4-methoxy-4-oxobutyl)amino]-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[(4-methoxy-4-oxobutyl)carbamoyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-1-keto-2-[4-[(4-keto-4-methoxy-butyl)carbamoyl]benzyl]-4-phenyl-isoquinoline-3-carboxylic acid Formula: C29H25BrN2O6 MolecularWeight: 577.4226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=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)CCCNC(=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/C29H25BrN2O6/c1-38-24(33)8-5-15-31-27(34)20-11-9-18(10-12-20)17-32-26(29(36)37)25(19-6-3-2-4-7-19)23-16-21(30)13-14-22(23)28(32)35/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3,(H,31,34)(H,36,37)