(E)-3-[4-(azepan-1-yl)-3-fluoranyl-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-(azepan-1-yl)-3-fluoranyl-phenyl]prop-2-enoate Openeye Name: (E)-3-[4-(azepan-1-yl)-3-fluoro-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanyl)-3-fluorophenyl]-2-propenoate IUPAC Name: (E)-3-[4-(azepan-1-yl)-3-fluorophenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)-3-fluoro-phenyl]acrylate Formula: C15H17FNO2- MolecularWeight: 262.299383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C=CC(=O)[O-])F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)/C=C/C(=O)[O-])F

InChI

InChI=1S/C15H18FNO2/c16-13-11-12(6-8-15(18)19)5-7-14(13)17-9-3-1-2-4-10-17/h5-8,11H,1-4,9-10H2,(H,18,19)/p-1/b8-6+