[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-propenoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)acrylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NCC#C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NCC#C)OCC

InChI

InChI=1S/C20H25NO5/c1-4-7-13-25-17-10-8-16(14-18(17)24-6-3)9-11-20(23)26-15-19(22)21-12-5-2/h2,8-11,14H,4,6-7,12-13,15H2,1,3H3,(H,21,22)/b11-9+