[(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H20N4O4/c1-15(19(26)24-21(28)22-14-16-6-3-2-4-7-16)29-20(27)17-8-10-18(11-9-17)25-13-5-12-23-25/h2-13,15H,14H2,1H3,(H2,22,24,26,28)/t15-/m0/s1