2-(4-butoxyphenyl)-3,6-dimethyl-quinoline-4-carboxylate

Systemtic Name: 2-(4-butoxyphenyl)-3,6-dimethyl-quinoline-4-carboxylate Openeye Name: 2-(4-butoxyphenyl)-3,6-dimethyl-quinoline-4-carboxylate CAS Name: 2-(4-butoxyphenyl)-3,6-dimethyl-4-quinolinecarboxylate IUPAC Name: 2-(4-butoxyphenyl)-3,6-dimethylquinoline-4-carboxylate Traditional Name: 2-(4-butoxyphenyl)-3,6-dimethyl-cinchoninate Formula: C22H22NO3- MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)[O-])C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)[O-])C

InChI

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