[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C17H20N4O4 MolecularWeight: 344.3651

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)CN2C=CC=N2

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=C(C=C1)CN2C=CC=N2

InChI

InChI=1S/C17H20N4O4/c1-11(2)14(15(22)20-17(18)24)25-16(23)13-6-4-12(5-7-13)10-21-9-3-8-19-21/h3-9,11,14H,10H2,1-2H3,(H3,18,20,22,24)