[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)N[C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-15(17-9-5-3-6-10-17)23-20(25)14-27-21(26)19-13-22-24(16(19)2)18-11-7-4-8-12-18/h3-13,15H,14H2,1-2H3,(H,23,25)/t15-/m0/s1