[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-oxidanyl-3,5-di(propan-2-yl)benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-hydroxy-3,5-diisopropyl-benzoate CAS Name: 2-hydroxy-3,5-di(propan-2-yl)benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate Traditional Name: 2-hydroxy-3,5-diisopropyl-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(=O)OCC(=O)C2=CC=CN2)O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(=O)OCC(=O)C2=CC=CN2)O)C(C)C

InChI

InChI=1S/C19H23NO4/c1-11(2)13-8-14(12(3)4)18(22)15(9-13)19(23)24-10-17(21)16-6-5-7-20-16/h5-9,11-12,20,22H,10H2,1-4H3