3-methyl-1-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-methyl-1-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-[[tert-butoxycarbonyl(methyl)amino]methyl]phenyl]-3-methyl-pyrazole-4-carboxylic acid CAS Name: 3-methyl-1-[3-[[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-methyl-1-[3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-[[tert-butoxycarbonyl(methyl)amino]methyl]phenyl]-3-methyl-pyrazole-4-carboxylic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)O)C2=CC=CC(=C2)CN(C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NN(C=C1C(=O)O)C2=CC=CC(=C2)CN(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23N3O4/c1-12-15(16(22)23)11-21(19-12)14-8-6-7-13(9-14)10-20(5)17(24)25-18(2,3)4/h6-9,11H,10H2,1-5H3,(H,22,23)