[(2S)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [(2S)-1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [(1S)-2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [(2S)-1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [(1S)-2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CC1)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C18H20N4O4/c1-12(16(23)21-18(25)20-15-7-8-15)26-17(24)14-5-3-13(4-6-14)11-22-10-2-9-19-22/h2-6,9-10,12,15H,7-8,11H2,1H3,(H2,20,21,23,25)/t12-/m0/s1