2-[5-(2-carboxylatophenyl)furan-2-yl]-6-methyl-quinoline-4-carboxylate

Systemtic Name: 2-[5-(2-carboxylatophenyl)furan-2-yl]-6-methyl-quinoline-4-carboxylate Openeye Name: 2-[5-(2-carboxylatophenyl)-2-furyl]-6-methyl-quinoline-4-carboxylate CAS Name: 2-[5-(2-carboxylatophenyl)-2-furanyl]-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-[5-(2-carboxylatophenyl)furan-2-yl]-6-methylquinoline-4-carboxylate Traditional Name: 2-[5-(2-carboxylatophenyl)-2-furyl]-6-methyl-cinchoninate Formula: C22H13NO5-2 MolecularWeight: 371.34232

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)/p-2