2-[5-(4-butan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylic acid

Systemtic Name: 2-[5-(4-butan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylic acid Openeye Name: 2-[5-(4-sec-butylphenyl)-2-furyl]quinoline-4-carboxylic acid CAS Name: 2-[5-(4-butan-2-ylphenyl)-2-furanyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[5-(4-butan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylic acid Traditional Name: 2-[5-(4-sec-butylphenyl)-2-furyl]cinchoninic acid Formula: C24H21NO3 MolecularWeight: 371.42844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C24H21NO3/c1-3-15(2)16-8-10-17(11-9-16)22-12-13-23(28-22)21-14-19(24(26)27)18-6-4-5-7-20(18)25-21/h4-15H,3H2,1-2H3,(H,26,27)