4-[5,6-dimethyl-1-(3-nitrophenyl)benzimidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 4-[5,6-dimethyl-1-(3-nitrophenyl)benzimidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-4-[5,6-dimethyl-1-(3-nitrophenyl)benzimidazol-2-yl]butanoic acid CAS Name: 4-[5,6-dimethyl-1-(3-nitrophenyl)-2-benzimidazolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 4-[5,6-dimethyl-1-(3-nitrophenyl)benzimidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-4-[5,6-dimethyl-1-(3-nitrophenyl)benzimidazol-2-yl]butyric acid Formula: C24H28N4O6 MolecularWeight: 468.50232

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CCC(C(=O)O)NC(=O)OC(C)(C)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O6/c1-14-11-19-20(12-15(14)2)27(16-7-6-8-17(13-16)28(32)33)21(25-19)10-9-18(22(29)30)26-23(31)34-24(3,4)5/h6-8,11-13,18H,9-10H2,1-5H3,(H,26,31)(H,29,30)