5-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1H-imidazole-4-carboxylic acid

Systemtic Name: 5-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1H-imidazole-4-carboxylic acid Openeye Name: 2-[3-(tert-butoxycarbonylamino)phenyl]-5-methyl-1H-imidazole-4-carboxylic acid CAS Name: 5-methyl-2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-1H-imidazole-4-carboxylic acid IUPAC Name: 5-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1H-imidazole-4-carboxylic acid Traditional Name: 2-[3-(tert-butoxycarbonylamino)phenyl]-5-methyl-1H-imidazole-4-carboxylic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC(=CC=C2)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(N=C(N1)C2=CC(=CC=C2)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C16H19N3O4/c1-9-12(14(20)21)19-13(17-9)10-6-5-7-11(8-10)18-15(22)23-16(2,3)4/h5-8H,1-4H3,(H,17,19)(H,18,22)(H,20,21)