[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-oxo-1,2-bis(p-tolyl)ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [1,2-bis(4-methylphenyl)-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C26H21NO3 MolecularWeight: 395.44984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H21NO3/c1-17-7-11-20(12-8-17)24(28)25(21-13-9-18(2)10-14-21)30-26(29)23-16-15-19-5-3-4-6-22(19)27-23/h3-16,25H,1-2H3