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

Systemtic Name: octyl 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: octyl 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid octyl ester IUPAC Name: octyl 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid octyl ester Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H29NO2/c1-3-4-5-6-7-10-17-28-25(27)22-18-24(20-15-13-19(2)14-16-20)26-23-12-9-8-11-21(22)23/h8-9,11-16,18H,3-7,10,17H2,1-2H3