methyl 2-(4-butoxyphenyl)quinoline-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC

InChI

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