2-(4-butoxyphenyl)-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-butoxyphenyl)-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(4-butoxyphenyl)-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-(4-butoxyphenyl)-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(4-butoxyphenyl)-8-methylquinoline-4-carboxylic acid Traditional Name: 2-(4-butoxyphenyl)-8-methyl-cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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