benzotriazol-1-yl 2-cyclopentyl-7-methoxy-1-methyl-benzimidazole-4-carboxylate

Systemtic Name: benzotriazol-1-yl 2-cyclopentyl-7-methoxy-1-methyl-benzimidazole-4-carboxylate Openeye Name: benzotriazol-1-yl 2-cyclopentyl-7-methoxy-1-methyl-benzimidazole-4-carboxylate CAS Name: 2-cyclopentyl-7-methoxy-1-methyl-4-benzimidazolecarboxylic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylate Traditional Name: 2-cyclopentyl-7-methoxy-1-methyl-benzimidazole-4-carboxylic acid benzotriazol-1-yl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(C=CC(=C21)OC)C(=O)ON3C4=CC=CC=C4N=N3)C5CCCC5

Isomeric SMILES

CN1C(=NC2=C(C=CC(=C21)OC)C(=O)ON3C4=CC=CC=C4N=N3)C5CCCC5

InChI

InChI=1S/C21H21N5O3/c1-25-19-17(28-2)12-11-14(18(19)22-20(25)13-7-3-4-8-13)21(27)29-26-16-10-6-5-9-15(16)23-24-26/h5-6,9-13H,3-4,7-8H2,1-2H3