4-chloranylbutyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate

Systemtic Name: 4-chloranylbutyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate Openeye Name: 4-chlorobutyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate CAS Name: 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(carbomethoxyamino)-3H-benzimidazole-5-carboxylic acid 4-chlorobutyl ester Formula: C14H16ClN3O4 MolecularWeight: 325.74754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)OCCCCCl

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)OCCCCCl

InChI

InChI=1S/C14H16ClN3O4/c1-21-14(20)18-13-16-10-5-4-9(8-11(10)17-13)12(19)22-7-3-2-6-15/h4-5,8H,2-3,6-7H2,1H3,(H2,16,17,18,20)