2-(4-butoxyphenyl)-6,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: 2-(4-butoxyphenyl)-6,8-dimethyl-quinoline-4-carboxylate Openeye Name: 2-(4-butoxyphenyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(4-butoxyphenyl)-6,8-dimethyl-4-quinolinecarboxylate IUPAC Name: 2-(4-butoxyphenyl)-6,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(4-butoxyphenyl)-6,8-dimethyl-cinchoninate Formula: C22H22NO3- MolecularWeight: 348.41498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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