pentyl 6,8-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: pentyl 6,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: pentyl 6,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid pentyl ester IUPAC Name: pentyl 6,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-phenyl-cinchoninic acid amyl ester Formula: C23H25NO2 MolecularWeight: 347.4501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO2/c1-4-5-9-12-26-23(25)20-15-21(18-10-7-6-8-11-18)24-22-17(3)13-16(2)14-19(20)22/h6-8,10-11,13-15H,4-5,9,12H2,1-3H3