[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-phenylacetic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] (2S)-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-hydroxy-2-phenyl-acetic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)C(C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)[C@H](C2=CC=CC=C2)O

InChI

InChI=1S/C17H19NO4/c1-11-9-14(12(2)18(11)3)15(19)10-22-17(21)16(20)13-7-5-4-6-8-13/h4-9,16,20H,10H2,1-3H3/t16-/m0/s1