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

Systemtic Name: 2-(3-ethoxy-4-propoxy-phenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: 2-(3-ethoxy-4-propoxy-phenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(3-ethoxy-4-propoxyphenyl)-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-(3-ethoxy-4-propoxyphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(3-ethoxy-4-propoxy-phenyl)-6-methyl-cinchoninate Formula: C22H22NO4- MolecularWeight: 364.41438

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)[O-])OCC

InChI

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