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

Systemtic Name: 4-[1-(4-methoxyphenyl)-5,6-dimethyl-benzimidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-4-[1-(4-methoxyphenyl)-5,6-dimethyl-benzimidazol-2-yl]butanoic acid CAS Name: 4-[1-(4-methoxyphenyl)-5,6-dimethyl-2-benzimidazolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 4-[1-(4-methoxyphenyl)-5,6-dimethylbenzimidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-4-[1-(4-methoxyphenyl)-5,6-dimethyl-benzimidazol-2-yl]butyric acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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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)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CCC(C(=O)O)NC(=O)OC(C)(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H31N3O5/c1-15-13-20-21(14-16(15)2)28(17-7-9-18(32-6)10-8-17)22(26-20)12-11-19(23(29)30)27-24(31)33-25(3,4)5/h7-10,13-14,19H,11-12H2,1-6H3,(H,27,31)(H,29,30)