3-[1-(4-methylphenyl)benzimidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[1-(4-methylphenyl)benzimidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[1-(p-tolyl)benzimidazol-2-yl]propanoic acid CAS Name: 3-[1-(4-methylphenyl)-2-benzimidazolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[1-(4-methylphenyl)benzimidazol-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[1-(p-tolyl)benzimidazol-2-yl]propionic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2CC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H25N3O4/c1-14-9-11-15(12-10-14)25-18-8-6-5-7-16(18)23-19(25)13-17(20(26)27)24-21(28)29-22(2,3)4/h5-12,17H,13H2,1-4H3,(H,24,28)(H,26,27)