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

Systemtic Name: 2-(4-butoxy-3-methoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-butoxy-3-methoxy-phenyl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(4-butoxy-3-methoxyphenyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butoxy-3-methoxyphenyl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-butoxy-3-methoxy-phenyl)-6-methyl-cinchoninic acid Formula: C22H23NO4 MolecularWeight: 365.42232

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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)OC

Isomeric SMILES

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

InChI

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