4-(1-methylbenzimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 4-(1-methylbenzimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-4-(1-methylbenzimidazol-2-yl)butanoic acid CAS Name: 4-(1-methyl-2-benzimidazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 4-(1-methylbenzimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-4-(1-methylbenzimidazol-2-yl)butyric acid Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=NC2=CC=CC=C2N1C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC1=NC2=CC=CC=C2N1C)C(=O)O

InChI

InChI=1S/C17H23N3O4/c1-17(2,3)24-16(23)19-12(15(21)22)9-10-14-18-11-7-5-6-8-13(11)20(14)4/h5-8,12H,9-10H2,1-4H3,(H,19,23)(H,21,22)