[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-3-methyl-2-(4-methylphenyl)-4a,8a-dihydroquinoline-4-carboxylate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 6-bromanyl-3-methyl-2-(4-methylphenyl)-4a,8a-dihydroquinoline-4-carboxylate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 6-bromo-3-methyl-2-(p-tolyl)-4a,8a-dihydroquinoline-4-carboxylate CAS Name: 6-bromo-3-methyl-2-(4-methylphenyl)-4a,8a-dihydroquinoline-4-carboxylic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 6-bromo-3-methyl-2-(4-methylphenyl)-4a,8a-dihydroquinoline-4-carboxylate Traditional Name: 6-bromo-3-methyl-2-(p-tolyl)-4a,8a-dihydroquinoline-4-carboxylic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C27H24BrNO3 MolecularWeight: 490.38836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3C=CC(=CC3C(=C2C)C(=O)OCC(=O)C4=CC=C(C=C4)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3C=CC(=CC3C(=C2C)C(=O)OCC(=O)C4=CC=C(C=C4)C)Br

InChI

InChI=1S/C27H24BrNO3/c1-16-4-8-19(9-5-16)24(30)15-32-27(31)25-18(3)26(20-10-6-17(2)7-11-20)29-23-13-12-21(28)14-22(23)25/h4-14,22-23H,15H2,1-3H3