[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(3-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-2-(3-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-methoxyphenyl)-4-quinolinecarboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 6-bromo-2-(3-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-methoxyphenyl)cinchoninic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C26H20BrNO4 MolecularWeight: 490.3453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)OC

InChI

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