2-(3-butoxyphenyl)-6-ethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-butoxyphenyl)-6-ethyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-butoxyphenyl)-6-ethyl-quinoline-4-carboxylic acid CAS Name: 2-(3-butoxyphenyl)-6-ethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-butoxyphenyl)-6-ethylquinoline-4-carboxylic acid Traditional Name: 2-(3-butoxyphenyl)-6-ethyl-cinchoninic acid Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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