3,5,5-trimethylhexyl 2-(methoxycarbonylamino)-1H-benzimidazole-4-carboxylate

Systemtic Name: 3,5,5-trimethylhexyl 2-(methoxycarbonylamino)-1H-benzimidazole-4-carboxylate Openeye Name: 3,5,5-trimethylhexyl 2-(methoxycarbonylamino)-1H-benzimidazole-4-carboxylate CAS Name: 2-(methoxycarbonylamino)-1H-benzimidazole-4-carboxylic acid 3,5,5-trimethylhexyl ester IUPAC Name: 3,5,5-trimethylhexyl 2-(methoxycarbonylamino)-1H-benzimidazole-4-carboxylate Traditional Name: 2-(carbomethoxyamino)-1H-benzimidazole-4-carboxylic acid 3,5,5-trimethylhexyl ester Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC(=O)C1=C2C(=CC=C1)NC(=N2)NC(=O)OC)CC(C)(C)C

Isomeric SMILES

CC(CCOC(=O)C1=C2C(=CC=C1)NC(=N2)NC(=O)OC)CC(C)(C)C

InChI

InChI=1S/C19H27N3O4/c1-12(11-19(2,3)4)9-10-26-16(23)13-7-6-8-14-15(13)21-17(20-14)22-18(24)25-5/h6-8,12H,9-11H2,1-5H3,(H2,20,21,22,24)