2-(4-butoxyphenyl)-6-ethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-butoxyphenyl)-6-ethyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-butoxyphenyl)-6-ethyl-quinoline-4-carboxylic acid CAS Name: 2-(4-butoxyphenyl)-6-ethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butoxyphenyl)-6-ethylquinoline-4-carboxylic acid Traditional Name: 2-(4-butoxyphenyl)-6-ethyl-cinchoninic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-3-5-12-26-17-9-7-16(8-10-17)21-14-19(22(24)25)18-13-15(4-2)6-11-20(18)23-21/h6-11,13-14H,3-5,12H2,1-2H3,(H,24,25)