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

Systemtic Name: 6-butyl-2-(2-methoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(2-methoxyphenyl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(2-methoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(2-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(2-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=C3OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CC=C3OC

InChI

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