[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(2-methoxyphenyl)-2-phenyl-prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(2-methoxyphenyl)-2-phenyl-prop-2-enoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(2-methoxyphenyl)-2-phenyl-prop-2-enoate CAS Name: (E)-3-(2-methoxyphenyl)-2-phenyl-2-propenoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate Traditional Name: (E)-3-(2-methoxyphenyl)-2-phenyl-acrylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C(C2=CC=CC=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

COC1=CC=CC=C1/C=C(\C2=CC=CC=C2)/C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C21H19NO4/c1-3-13-22-20(23)15-26-21(24)18(16-9-5-4-6-10-16)14-17-11-7-8-12-19(17)25-2/h1,4-12,14H,13,15H2,2H3,(H,22,23)/b18-14+