2-(3-ethoxy-4-pentoxy-phenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: 2-(3-ethoxy-4-pentoxy-phenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: 2-(3-ethoxy-4-pentoxy-phenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(3-ethoxy-4-pentoxyphenyl)-8-methyl-4-quinolinecarboxylate IUPAC Name: 2-(3-ethoxy-4-pentoxyphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-amoxy-3-ethoxy-phenyl)-8-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=CC=C3C)C(=C2)C(=O)[O-])OCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)[O-])OCC

InChI

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