pentyl 3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: pentyl 3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: pentyl 3,6,8-trimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3,6,8-trimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3,6,8-trimethyl-2-(p-tolyl)cinchoninic acid amyl ester Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C(=NC2=C(C=C(C=C12)C)C)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(C(=NC2=C(C=C(C=C12)C)C)C3=CC=C(C=C3)C)C

InChI

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