[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-[[(1S)-1-(2-furyl)ethyl]amino]-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[[(1S)-1-(2-furanyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-[[(1S)-1-(2-furyl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CO1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=CO1)NC(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4/c1-12(16-8-5-9-24-16)19-17(22)11-25-18(23)15-10-14(20-21-15)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1