[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-tert-butylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-tert-butylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3/c1-5-10-17-14(18)11-20-15(19)12-6-8-13(9-7-12)16(2,3)4/h1,6-9H,10-11H2,2-4H3,(H,17,18)