[(1S)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: [(1S)-2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid [(1S)-2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C28H23N3O3 MolecularWeight: 449.50052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)O[C@@H](C3=CC=CC=C3)C(=O)C4=CNC5=CC=CC=C54)C

InChI

InChI=1S/C28H23N3O3/c1-18-16-19(2)31(30-18)22-14-12-21(13-15-22)28(33)34-27(20-8-4-3-5-9-20)26(32)24-17-29-25-11-7-6-10-23(24)25/h3-17,27,29H,1-2H3/t27-/m0/s1