methyl 1-[2,4-bis(oxidanylidene)-4-phenyl-butyl]-5-bromanyl-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 1-[2,4-bis(oxidanylidene)-4-phenyl-butyl]-5-bromanyl-1H-isoquinoline-2-carboxylate Openeye Name: methyl 5-bromo-1-(2,4-dioxo-4-phenyl-butyl)-1H-isoquinoline-2-carboxylate CAS Name: 5-bromo-1-(2,4-dioxo-4-phenylbutyl)-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-1-(2,4-dioxo-4-phenylbutyl)-1H-isoquinoline-2-carboxylate Traditional Name: 5-bromo-1-(2,4-diketo-4-phenyl-butyl)-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=CC2=C(C1CC(=O)CC(=O)C3=CC=CC=C3)C=CC=C2Br

Isomeric SMILES

COC(=O)N1C=CC2=C(C1CC(=O)CC(=O)C3=CC=CC=C3)C=CC=C2Br

InChI

InChI=1S/C21H18BrNO4/c1-27-21(26)23-11-10-16-17(8-5-9-18(16)22)19(23)12-15(24)13-20(25)14-6-3-2-4-7-14/h2-11,19H,12-13H2,1H3