[1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-ethoxyphenyl)carbamoyl]propyl 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [1-(4-ethoxyanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-ethoxyanilino)-1-oxobutan-2-yl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid 1-(p-phenetylcarbamoyl)propyl ester Formula: C25H24N4O4 MolecularWeight: 444.48246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OCC)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OCC)OC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CN=CC=C4

InChI

InChI=1S/C25H24N4O4/c1-3-22(24(30)27-18-8-10-19(11-9-18)32-4-2)33-25(31)16-7-12-20-21(14-16)29-23(28-20)17-6-5-13-26-15-17/h5-15,22H,3-4H2,1-2H3,(H,27,30)(H,28,29)