[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate

Systemtic Name: [1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-[(2-ethyl-6-methyl-phenyl)carbamoyl]propyl 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-ethyl-6-methylanilino)-1-oxobutan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-[(2-ethyl-6-methyl-phenyl)carbamoyl]propyl ester Formula: C21H23N3O3 MolecularWeight: 365.42562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(CC)OC(=O)C2=CC3=C(C=C2)N=CN3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(CC)OC(=O)C2=CC3=C(C=C2)N=CN3)C

InChI

InChI=1S/C21H23N3O3/c1-4-14-8-6-7-13(3)19(14)24-20(25)18(5-2)27-21(26)15-9-10-16-17(11-15)23-12-22-16/h6-12,18H,4-5H2,1-3H3,(H,22,23)(H,24,25)