2-(3-ethoxy-4-pentoxy-phenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: 2-(3-ethoxy-4-pentoxy-phenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: 2-(3-ethoxy-4-pentoxy-phenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(3-ethoxy-4-pentoxyphenyl)-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-(3-ethoxy-4-pentoxyphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-amoxy-3-ethoxy-phenyl)-6-methyl-cinchoninate Formula: C24H26NO4- MolecularWeight: 392.46754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)[O-])OCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)[O-])OCC

InChI

InChI=1S/C24H27NO4/c1-4-6-7-12-29-22-11-9-17(14-23(22)28-5-2)21-15-19(24(26)27)18-13-16(3)8-10-20(18)25-21/h8-11,13-15H,4-7,12H2,1-3H3,(H,26,27)/p-1