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

Systemtic Name: 2-(4-pentoxyphenyl)quinoline-4-carboxylate Openeye Name: 2-(4-pentoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-pentoxyphenyl)-4-quinolinecarboxylate IUPAC Name: 2-(4-pentoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-amoxyphenyl)cinchoninate Formula: C21H20NO3- MolecularWeight: 334.3884

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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)/p-1