2-(4-butoxy-3-methoxy-phenyl)-8-methoxy-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-butoxy-3-methoxy-phenyl)-8-methoxy-quinoline-4-carboxylic acid Openeye Name: 2-(4-butoxy-3-methoxy-phenyl)-8-methoxy-quinoline-4-carboxylic acid CAS Name: 2-(4-butoxy-3-methoxyphenyl)-8-methoxy-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butoxy-3-methoxyphenyl)-8-methoxyquinoline-4-carboxylic acid Traditional Name: 2-(4-butoxy-3-methoxy-phenyl)-8-methoxy-cinchoninic acid Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)O)OC

InChI

InChI=1S/C22H23NO5/c1-4-5-11-28-18-10-9-14(12-20(18)27-3)17-13-16(22(24)25)15-7-6-8-19(26-2)21(15)23-17/h6-10,12-13H,4-5,11H2,1-3H3,(H,24,25)