(E)-3-[2-(azepan-1-yl)-4-bromanyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(azepan-1-yl)-4-bromanyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(azepan-1-yl)-4-bromo-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(1-azepanyl)-4-bromophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(azepan-1-yl)-4-bromophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(azepan-1-yl)-4-bromo-phenyl]acrylic acid Formula: C15H18BrNO2 MolecularWeight: 324.21292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=CC(=C2)Br)C=CC(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=C(C=CC(=C2)Br)/C=C/C(=O)O

InChI

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