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

Systemtic Name: methyl 6-bromanyl-2-[(3-methoxycarbonylphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 6-bromo-2-[(3-methoxycarbonylphenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 6-bromo-2-[(3-methoxycarbonylphenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-bromo-2-[(3-methoxycarbonylphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 6-bromo-2-(3-carbomethoxybenzyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C26H20BrNO5 MolecularWeight: 506.3447

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H20BrNO5/c1-32-25(30)18-10-6-7-16(13-18)15-28-23(26(31)33-2)22(17-8-4-3-5-9-17)21-14-19(27)11-12-20(21)24(28)29/h3-14H,15H2,1-2H3