(E)-3-[2-(azocan-2-yl)-5-bromanyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(azocan-2-yl)-5-bromanyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(azocan-2-yl)-5-bromo-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(2-azocanyl)-5-bromophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(azocan-2-yl)-5-bromophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(azocan-2-yl)-5-bromo-phenyl]acrylic acid Formula: C16H20BrNO2 MolecularWeight: 338.2395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCNC(CC1)C2=C(C=C(C=C2)Br)C=CC(=O)O

Isomeric SMILES

C1CCCNC(CC1)C2=C(C=C(C=C2)Br)/C=C/C(=O)O

InChI

InChI=1S/C16H20BrNO2/c17-13-7-8-14(12(11-13)6-9-16(19)20)15-5-3-1-2-4-10-18-15/h6-9,11,15,18H,1-5,10H2,(H,19,20)/b9-6+