8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid CAS Name: 8-methyl-2-(4-pentoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-amoxyphenyl)-8-methyl-cinchoninic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-3-4-5-13-26-17-11-9-16(10-12-17)20-14-19(22(24)25)18-8-6-7-15(2)21(18)23-20/h6-12,14H,3-5,13H2,1-2H3,(H,24,25)