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

Systemtic Name: methyl 2-(4-pentoxyphenyl)quinoline-4-carboxylate Openeye Name: methyl 2-(4-pentoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-pentoxyphenyl)-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-pentoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-amoxyphenyl)cinchoninic acid methyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC

InChI

InChI=1S/C22H23NO3/c1-3-4-7-14-26-17-12-10-16(11-13-17)21-15-19(22(24)25-2)18-8-5-6-9-20(18)23-21/h5-6,8-13,15H,3-4,7,14H2,1-2H3