[(2S)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 5-phenyl-1H-pyrazole-4-carboxylate

Systemtic Name: [(2S)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 5-phenyl-1H-pyrazole-4-carboxylate Openeye Name: [(1S)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 5-phenyl-1H-pyrazole-4-carboxylate CAS Name: 5-phenyl-1H-pyrazole-4-carboxylic acid [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 5-phenyl-1H-pyrazole-4-carboxylate Traditional Name: 5-phenyl-1H-pyrazole-4-carboxylic acid [(1S)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)C3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3/c1-13(20(25)16-11-22-18-10-6-5-9-15(16)18)27-21(26)17-12-23-24-19(17)14-7-3-2-4-8-14/h2-13,22H,1H3,(H,23,24)/t13-/m0/s1