[2-[(2-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(2-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-[(2-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [2-[(2-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)N(C)CC2=CC=CC=C2F

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)N(C)CC2=CC=CC=C2F

InChI

InChI=1S/C22H21FN2O4/c1-3-28-19-10-8-16(9-11-19)12-18(13-24)22(27)29-15-21(26)25(2)14-17-6-4-5-7-20(17)23/h4-12H,3,14-15H2,1-2H3/b18-12+