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

Systemtic Name: 6-bromanyl-2-[[4-[(3-ethoxycarbonylphenyl)carbamoyl]phenyl]methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-[[4-[(3-ethoxycarbonylphenyl)carbamoyl]phenyl]methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-[[4-[(3-ethoxycarbonylanilino)-oxomethyl]phenyl]methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-[[4-[(3-ethoxycarbonylphenyl)carbamoyl]phenyl]methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-[4-[(3-carbethoxyphenyl)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:

CCOC(=O)C1=CC(=CC=C1)NC(=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

CCOC(=O)C1=CC(=CC=C1)NC(=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/c1-2-42-33(41)23-9-6-10-25(17-23)35-30(37)22-13-11-20(12-14-22)19-36-29(32(39)40)28(21-7-4-3-5-8-21)27-18-24(34)15-16-26(27)31(36)38/h3-18H,2,19H2,1H3,(H,35,37)(H,39,40)