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

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-(o-tolylcarbamoyl)propyl 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-(2-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxobutan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-(o-tolylcarbamoyl)propyl ester Formula: C19H19N3O3 MolecularWeight: 337.37246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C)OC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C)OC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C19H19N3O3/c1-3-17(18(23)22-14-7-5-4-6-12(14)2)25-19(24)13-8-9-15-16(10-13)21-11-20-15/h4-11,17H,3H2,1-2H3,(H,20,21)(H,22,23)