[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(2-butyl-1-benzofuran-3-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(2-butyl-1-benzofuran-3-yl)prop-2-enoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(2-butylbenzofuran-3-yl)prop-2-enoate CAS Name: (E)-3-(2-butyl-3-benzofuranyl)-2-propenoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(2-butyl-1-benzofuran-3-yl)prop-2-enoate Traditional Name: (E)-3-(2-butylbenzofuran-3-yl)acrylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C=CC(=O)OCC(=O)NCC#C

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C20H21NO4/c1-3-5-9-17-16(15-8-6-7-10-18(15)25-17)11-12-20(23)24-14-19(22)21-13-4-2/h2,6-8,10-12H,3,5,9,13-14H2,1H3,(H,21,22)/b12-11+