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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C17H21NO6 MolecularWeight: 335.35174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NCC#C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC(=O)NCC#C

InChI

InChI=1S/C17H21NO6/c1-5-8-18-15(19)11-24-16(20)7-6-12-9-13(21-2)17(23-4)14(10-12)22-3/h1,9-10H,6-8,11H2,2-4H3,(H,18,19)