[2-oxidanylidene-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-keto-2-[[(2R)-2-phenylpropyl]amino]ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=NN(C=C1OC)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CNC(=O)COC(=O)C1=NN(C=C1OC)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-16(17-9-5-3-6-10-17)13-23-20(26)15-29-22(27)21-19(28-2)14-25(24-21)18-11-7-4-8-12-18/h3-12,14,16H,13,15H2,1-2H3,(H,23,26)/t16-/m0/s1