[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C20H27NO4/c1-8-9-21-16(22)12-25-18(24)13-10-14(19(2,3)4)17(23)15(11-13)20(5,6)7/h1,10-11,23H,9,12H2,2-7H3,(H,21,22)