3,3,7-trimethyloct-6-enyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate

Systemtic Name: 3,3,7-trimethyloct-6-enyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate Openeye Name: 3,3,7-trimethyloct-6-enyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate CAS Name: 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid 3,3,7-trimethyloct-6-enyl ester IUPAC Name: 3,3,7-trimethyloct-6-enyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate Traditional Name: 2-(carbomethoxyamino)-3H-benzimidazole-5-carboxylic acid 3,3,7-trimethyloct-6-enyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C)CCOC(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC)C

Isomeric SMILES

CC(=CCCC(C)(C)CCOC(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC)C

InChI

InChI=1S/C21H29N3O4/c1-14(2)7-6-10-21(3,4)11-12-28-18(25)15-8-9-16-17(13-15)23-19(22-16)24-20(26)27-5/h7-9,13H,6,10-12H2,1-5H3,(H2,22,23,24,26)