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

Systemtic Name: heptyl 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: heptyl 6-methyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 6-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid heptyl ester IUPAC Name: heptyl 6-methyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 6-methyl-2-(p-tolyl)cinchoninic acid heptyl ester Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO2/c1-4-5-6-7-8-15-28-25(27)22-17-24(20-12-9-18(2)10-13-20)26-23-14-11-19(3)16-21(22)23/h9-14,16-17H,4-8,15H2,1-3H3