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

Systemtic Name: 6-bromanyl-2-[[4-[(4-methoxycarbonylphenyl)methylcarbamoyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-[(4-methoxycarbonylphenyl)methylcarbamoyl]phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[[(4-methoxycarbonylphenyl)methylamino]-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[(4-methoxycarbonylphenyl)methylcarbamoyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-[(4-carbomethoxybenzyl)carbamoyl]benzyl]-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C33H25BrN2O6 MolecularWeight: 625.4654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Br)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C33H25BrN2O6/c1-42-33(41)24-13-7-20(8-14-24)18-35-30(37)23-11-9-21(10-12-23)19-36-29(32(39)40)28(22-5-3-2-4-6-22)27-17-25(34)15-16-26(27)31(36)38/h2-17H,18-19H2,1H3,(H,35,37)(H,39,40)