2-[5-(2-carboxyphenyl)furan-2-yl]-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[5-(2-carboxyphenyl)furan-2-yl]-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[5-(2-carboxyphenyl)-2-furyl]-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-[5-(2-carboxyphenyl)-2-furanyl]-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[5-(2-carboxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid Traditional Name: 2-[5-(2-carboxyphenyl)-2-furyl]-6-methyl-cinchoninic acid Formula: C22H15NO5 MolecularWeight: 373.3582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H15NO5/c1-12-6-7-17-15(10-12)16(22(26)27)11-18(23-17)20-9-8-19(28-20)13-4-2-3-5-14(13)21(24)25/h2-11H,1H3,(H,24,25)(H,26,27)