methyl (E)-6-[3-azanyl-5-(trifluoromethyl)phenyl]-6-pyridin-3-yl-hex-5-enoate

Systemtic Name: methyl (E)-6-[3-azanyl-5-(trifluoromethyl)phenyl]-6-pyridin-3-yl-hex-5-enoate Openeye Name: methyl (E)-6-[3-amino-5-(trifluoromethyl)phenyl]-6-(3-pyridyl)hex-5-enoate CAS Name: (E)-6-[3-amino-5-(trifluoromethyl)phenyl]-6-(3-pyridinyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-[3-amino-5-(trifluoromethyl)phenyl]-6-pyridin-3-ylhex-5-enoate Traditional Name: (E)-6-[3-amino-5-(trifluoromethyl)phenyl]-6-(3-pyridyl)hex-5-enoic acid methyl ester Formula: C19H19F3N2O2 MolecularWeight: 364.36157

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC=C(C1=CN=CC=C1)C2=CC(=CC(=C2)N)C(F)(F)F

Isomeric SMILES

COC(=O)CCC/C=C(/C1=CN=CC=C1)\C2=CC(=CC(=C2)N)C(F)(F)F

InChI

InChI=1S/C19H19F3N2O2/c1-26-18(25)7-3-2-6-17(13-5-4-8-24-12-13)14-9-15(19(20,21)22)11-16(23)10-14/h4-6,8-12H,2-3,7,23H2,1H3/b17-6-