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

Systemtic Name: 2-(4-pentoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-pentoxyphenyl)quinoline-4-carboxylic acid CAS Name: 2-(4-pentoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-pentoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-amoxyphenyl)cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-2-3-6-13-25-16-11-9-15(10-12-16)20-14-18(21(23)24)17-7-4-5-8-19(17)22-20/h4-5,7-12,14H,2-3,6,13H2,1H3,(H,23,24)