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

Systemtic Name: (E)-3-[2-(azepan-2-yl)-5-bromanyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(azepan-2-yl)-5-bromo-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(2-azepanyl)-5-bromophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(azepan-2-yl)-5-bromophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(azepan-2-yl)-5-bromo-phenyl]acrylic acid Formula: C15H18BrNO2 MolecularWeight: 324.21292

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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)/b8-5+