[(2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [(1S)-2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl] ester Formula: C23H21N3O4 MolecularWeight: 403.43054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)OC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)OC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4/c1-14(22(28)18-8-9-21-17(12-18)10-11-26(21)15(2)27)30-23(29)20-13-19(24-25-20)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,24,25)/t14-/m0/s1