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

Systemtic Name: 2-(4-butoxyphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: 2-(4-butoxyphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-butoxyphenyl)-8-methyl-4-quinolinecarboxylate IUPAC Name: 2-(4-butoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-butoxyphenyl)-8-methyl-cinchoninate Formula: C21H20NO3- MolecularWeight: 334.3884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)[O-]

InChI

InChI=1S/C21H21NO3/c1-3-4-12-25-16-10-8-15(9-11-16)19-13-18(21(23)24)17-7-5-6-14(2)20(17)22-19/h5-11,13H,3-4,12H2,1-2H3,(H,23,24)/p-1