[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)NCC#C)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)NCC#C)OC

InChI

InChI=1S/C14H15NO5/c1-4-5-15-13(16)9-20-14(17)10-6-11(18-2)8-12(7-10)19-3/h1,6-8H,5,9H2,2-3H3,(H,15,16)