[2-oxidanylidene-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-keto-2-[[(2R)-2-phenylpropyl]amino]ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC(=NN1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CNC(=O)COC(=O)C1=CC(=NN1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-15(16-8-4-2-5-9-16)13-22-20(25)14-27-21(26)19-12-18(23-24-19)17-10-6-3-7-11-17/h2-12,15H,13-14H2,1H3,(H,22,25)(H,23,24)/t15-/m0/s1