[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H23NO6 MolecularWeight: 349.37832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C18H23NO6/c1-5-9-19-16(20)12-25-18(21)13-10-14(22-6-2)17(24-8-4)15(11-13)23-7-3/h1,10-11H,6-9,12H2,2-4H3,(H,19,20)