2-(4-butoxyphenyl)-8-methoxy-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-butoxyphenyl)-8-methoxy-quinoline-4-carboxylic acid Openeye Name: 2-(4-butoxyphenyl)-8-methoxy-quinoline-4-carboxylic acid CAS Name: 2-(4-butoxyphenyl)-8-methoxy-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butoxyphenyl)-8-methoxyquinoline-4-carboxylic acid Traditional Name: 2-(4-butoxyphenyl)-8-methoxy-cinchoninic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-3-4-12-26-15-10-8-14(9-11-15)18-13-17(21(23)24)16-6-5-7-19(25-2)20(16)22-18/h5-11,13H,3-4,12H2,1-2H3,(H,23,24)