6-butan-2-yl-2-(3-methoxyphenyl)quinoline-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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