2-(4-butoxy-3-methoxy-phenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: 2-(4-butoxy-3-methoxy-phenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: 2-(4-butoxy-3-methoxy-phenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-butoxy-3-methoxyphenyl)-8-methyl-4-quinolinecarboxylate IUPAC Name: 2-(4-butoxy-3-methoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-butoxy-3-methoxy-phenyl)-8-methyl-cinchoninate Formula: C22H22NO4- MolecularWeight: 364.41438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO4/c1-4-5-11-27-19-10-9-15(12-20(19)26-3)18-13-17(22(24)25)16-8-6-7-14(2)21(16)23-18/h6-10,12-13H,4-5,11H2,1-3H3,(H,24,25)/p-1