(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: (1-propyltetrazol-5-yl)methyl 3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-methyl-2-oxo-1-benzimidazolyl)propanoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 3-(3-methyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-methyl-benzimidazol-1-yl)propionic acid (1-propyltetrazol-5-yl)methyl ester Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)CCN2C3=CC=CC=C3N(C2=O)C

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)CCN2C3=CC=CC=C3N(C2=O)C

InChI

InChI=1S/C16H20N6O3/c1-3-9-22-14(17-18-19-22)11-25-15(23)8-10-21-13-7-5-4-6-12(13)20(2)16(21)24/h4-7H,3,8-11H2,1-2H3