[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)CC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)CC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H22N4O4/c1-13(2)9-19-18(25)21-16(23)12-26-17(24)8-14-10-20-22(11-14)15-6-4-3-5-7-15/h3-7,10-11,13H,8-9,12H2,1-2H3,(H2,19,21,23,25)