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

Systemtic Name: 2-(4-butoxy-3-methoxy-phenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-butoxy-3-methoxy-phenyl)quinoline-4-carboxylic acid CAS Name: 2-(4-butoxy-3-methoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butoxy-3-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-butoxy-3-methoxy-phenyl)cinchoninic acid Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)O)OC

InChI

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