2-(4-butoxy-3-ethoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-butoxy-3-ethoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-butoxy-3-ethoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(4-butoxy-3-ethoxyphenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butoxy-3-ethoxyphenyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-butoxy-3-ethoxy-phenyl)-6-methyl-cinchoninic acid Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)O)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)O)OCC

InChI

InChI=1S/C23H25NO4/c1-4-6-11-28-21-10-8-16(13-22(21)27-5-2)20-14-18(23(25)26)17-12-15(3)7-9-19(17)24-20/h7-10,12-14H,4-6,11H2,1-3H3,(H,25,26)