4-[[2-butyl-4-oxidanylidene-5-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[2-butyl-4-oxidanylidene-5-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridin-3-yl]methyl]benzoic acid Openeye Name: 4-[[2-butyl-4-oxo-5-(2-thienylmethyl)imidazo[4,5-c]pyridin-3-yl]methyl]benzoic acid CAS Name: 4-[[2-butyl-4-oxo-5-(thiophen-2-ylmethyl)-3-imidazo[4,5-c]pyridinyl]methyl]benzoic acid IUPAC Name: 4-[[2-butyl-4-oxo-5-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridin-3-yl]methyl]benzoic acid Traditional Name: 4-[[2-butyl-4-keto-5-(2-thenyl)imidazo[4,5-c]pyridin-3-yl]methyl]benzoic acid Formula: C23H23N3O3S MolecularWeight: 421.51202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C(=O)N(C=C2)CC4=CC=CS4

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C(=O)N(C=C2)CC4=CC=CS4

InChI

InChI=1S/C23H23N3O3S/c1-2-3-6-20-24-19-11-12-25(15-18-5-4-13-30-18)22(27)21(19)26(20)14-16-7-9-17(10-8-16)23(28)29/h4-5,7-13H,2-3,6,14-15H2,1H3,(H,28,29)