2-(3-ethoxy-4-propoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-ethoxy-4-propoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-ethoxy-4-propoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3-ethoxy-4-propoxyphenyl)-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-ethoxy-4-propoxyphenyl)-8-methylquinoline-4-carboxylic acid Traditional Name: 2-(3-ethoxy-4-propoxy-phenyl)-8-methyl-cinchoninic acid Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)O)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)O)OCC

InChI

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