6-butyl-2-(3-methoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-(3-methoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(3-methoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(3-methoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(3-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(3-methoxyphenyl)cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H21NO3/c1-3-4-6-14-9-10-19-17(11-14)18(21(23)24)13-20(22-19)15-7-5-8-16(12-15)25-2/h5,7-13H,3-4,6H2,1-2H3,(H,23,24)