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

Systemtic Name: [2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate Openeye Name: [2-(2-fluoroanilino)-2-oxo-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-propenoic acid [2-(2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoroanilino)-2-oxoethyl] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)acrylic acid [2-(2-fluoroanilino)-2-keto-ethyl] ester Formula: C23H26FNO5 MolecularWeight: 415.454643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=CC=CC=C2F)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC=CC=C2F)OCC

InChI

InChI=1S/C23H26FNO5/c1-3-5-14-29-20-12-10-17(15-21(20)28-4-2)11-13-23(27)30-16-22(26)25-19-9-7-6-8-18(19)24/h6-13,15H,3-5,14,16H2,1-2H3,(H,25,26)/b13-11+