[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(2-methylpropyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(2-methylpropyl)benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-isobutylbenzoate CAS Name: 4-(2-methylpropyl)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(2-methylpropyl)benzoate Traditional Name: 4-isobutylbenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)OCC(=O)NCC#C

InChI

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