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

Systemtic Name: 8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylate Openeye Name: 8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylate CAS Name: 8-methyl-2-(4-pentoxyphenyl)-4-quinolinecarboxylate IUPAC Name: 8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-amoxyphenyl)-8-methyl-cinchoninate Formula: C22H22NO3- MolecularWeight: 348.41498

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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)/p-1