[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-[4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-[4-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoate CAS Name: 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1-pyrazolyl]benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]benzoate Traditional Name: 4-[4-(3-keto-3-methoxy-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C22H28N4O6 MolecularWeight: 444.48092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC(C(C)C)C(=O)NC(=O)N)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OC(C(C)C)C(=O)NC(=O)N)C)CCC(=O)OC

InChI

InChI=1S/C22H28N4O6/c1-12(2)19(20(28)24-22(23)30)32-21(29)15-6-8-16(9-7-15)26-14(4)17(13(3)25-26)10-11-18(27)31-5/h6-9,12,19H,10-11H2,1-5H3,(H3,23,24,28,30)