4-[1-(cyclohexylmethyl)-5,6-dimethyl-benzimidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 4-[1-(cyclohexylmethyl)-5,6-dimethyl-benzimidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-4-[1-(cyclohexylmethyl)-5,6-dimethyl-benzimidazol-2-yl]butanoic acid CAS Name: 4-[1-(cyclohexylmethyl)-5,6-dimethyl-2-benzimidazolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 4-[1-(cyclohexylmethyl)-5,6-dimethylbenzimidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-4-[1-(cyclohexylmethyl)-5,6-dimethyl-benzimidazol-2-yl]butyric acid Formula: C25H37N3O4 MolecularWeight: 443.57898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)CCC(C(=O)O)NC(=O)OC(C)(C)C)CC3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CCC(C(=O)O)NC(=O)OC(C)(C)C)CC3CCCCC3

InChI

InChI=1S/C25H37N3O4/c1-16-13-20-21(14-17(16)2)28(15-18-9-7-6-8-10-18)22(26-20)12-11-19(23(29)30)27-24(31)32-25(3,4)5/h13-14,18-19H,6-12,15H2,1-5H3,(H,27,31)(H,29,30)