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

Systemtic Name: [2-[(2-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-[(2-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-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-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-[(2-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22FN3O3/c1-25(2)19-10-8-16(9-11-19)12-18(13-24)22(28)29-15-21(27)26(3)14-17-6-4-5-7-20(17)23/h4-12H,14-15H2,1-3H3/b18-12+