[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-(4-tert-butylphenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-(4-tert-butylphenyl)propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(4-tert-butylphenyl)propanoate CAS Name: 3-(4-tert-butylphenyl)propanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(4-tert-butylphenyl)propanoate Traditional Name: 3-(4-tert-butylphenyl)propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-5-12-19-16(20)13-22-17(21)11-8-14-6-9-15(10-7-14)18(2,3)4/h1,6-7,9-10H,8,11-13H2,2-4H3,(H,19,20)