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

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-butan-2-yl] 3H-benzimidazole-5-carboxylate Openeye Name: 1-[(4-acetamidophenyl)carbamoyl]propyl 3H-benzimidazole-5-carboxylate CAS Name: 3H-benzimidazole-5-carboxylic acid [1-(4-acetamidoanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxobutan-2-yl] 3H-benzimidazole-5-carboxylate Traditional Name: 3H-benzimidazole-5-carboxylic acid 1-[(4-acetamidophenyl)carbamoyl]propyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C20H20N4O4/c1-3-18(19(26)24-15-7-5-14(6-8-15)23-12(2)25)28-20(27)13-4-9-16-17(10-13)22-11-21-16/h4-11,18H,3H2,1-2H3,(H,21,22)(H,23,25)(H,24,26)