octyl 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: octyl 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: octyl 6-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid octyl ester IUPAC Name: octyl 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-methyl-2-(p-tolyl)cinchoninic acid octyl ester Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H31NO2/c1-4-5-6-7-8-9-16-29-26(28)23-18-25(21-13-10-19(2)11-14-21)27-24-15-12-20(3)17-22(23)24/h10-15,17-18H,4-9,16H2,1-3H3