(E)-3-[2-(azepan-2-yl)-5-bromanyl-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[2-(azepan-2-yl)-5-bromanyl-phenyl]prop-2-enoate Openeye Name: (E)-3-[2-(azepan-2-yl)-5-bromo-phenyl]prop-2-enoate CAS Name: (E)-3-[2-(2-azepanyl)-5-bromophenyl]-2-propenoate IUPAC Name: (E)-3-[2-(azepan-2-yl)-5-bromophenyl]prop-2-enoate Traditional Name: (E)-3-[2-(azepan-2-yl)-5-bromo-phenyl]acrylate Formula: C15H17BrNO2- MolecularWeight: 323.20498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)C2=C(C=C(C=C2)Br)C=CC(=O)[O-]

Isomeric SMILES

C1CCC(NCC1)C2=C(C=C(C=C2)Br)/C=C/C(=O)[O-]

InChI

InChI=1S/C15H18BrNO2/c16-12-6-7-13(11(10-12)5-8-15(18)19)14-4-2-1-3-9-17-14/h5-8,10,14,17H,1-4,9H2,(H,18,19)/p-1/b8-5+