butyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: butyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: butyl 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid butyl ester IUPAC Name: butyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid butyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCOC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21NO3/c1-3-4-13-25-21(23)18-14-20(15-9-11-16(24-2)12-10-15)22-19-8-6-5-7-17(18)19/h5-12,14H,3-4,13H2,1-2H3