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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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