methyl 4-[(6-bromanyl-3-ethanoyl-4-phenyl-1H-isoquinolin-2-yl)carbonyl]benzoate

Systemtic Name: methyl 4-[(6-bromanyl-3-ethanoyl-4-phenyl-1H-isoquinolin-2-yl)carbonyl]benzoate Openeye Name: methyl 4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)benzoate CAS Name: 4-[(3-acetyl-6-bromo-4-phenyl-1H-isoquinolin-2-yl)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)benzoate Traditional Name: 4-(3-acetyl-6-bromo-4-phenyl-1H-isoquinoline-2-carbonyl)benzoic acid methyl ester Formula: C26H20BrNO4 MolecularWeight: 490.3453

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)C(=O)OC)C=CC(=C2)Br)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)C(=O)OC)C=CC(=C2)Br)C4=CC=CC=C4

InChI

InChI=1S/C26H20BrNO4/c1-16(29)24-23(17-6-4-3-5-7-17)22-14-21(27)13-12-20(22)15-28(24)25(30)18-8-10-19(11-9-18)26(31)32-2/h3-14H,15H2,1-2H3