ethyl (E)-2-cyano-3-[[(1R)-1-phenylethyl]amino]-3-[[4-(trifluoromethyl)phenyl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[(1R)-1-phenylethyl]amino]-3-[[4-(trifluoromethyl)phenyl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[[(1R)-1-phenylethyl]amino]-3-[4-(trifluoromethyl)anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[[(1R)-1-phenylethyl]amino]-3-[4-(trifluoromethyl)anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[[(1R)-1-phenylethyl]amino]-3-[4-(trifluoromethyl)anilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[[(1R)-1-phenylethyl]amino]-3-[4-(trifluoromethyl)anilino]acrylic acid ethyl ester Formula: C21H20F3N3O2 MolecularWeight: 403.39761

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=C(C=C1)C(F)(F)F)NC(C)C2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)/C(=C(/NC1=CC=C(C=C1)C(F)(F)F)\N[C@H](C)C2=CC=CC=C2)/C#N

InChI

InChI=1S/C21H20F3N3O2/c1-3-29-20(28)18(13-25)19(26-14(2)15-7-5-4-6-8-15)27-17-11-9-16(10-12-17)21(22,23)24/h4-12,14,26-27H,3H2,1-2H3/b19-18+/t14-/m1/s1