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

Systemtic Name: (E)-3-[2-(azocan-1-yl)-4-bromanyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(azocan-1-yl)-4-bromo-phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-(1-azocanyl)-4-bromophenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(azocan-1-yl)-4-bromophenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(azocan-1-yl)-4-bromo-phenyl]acrylic acid Formula: C16H20BrNO2 MolecularWeight: 338.2395

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC(=C2)Br)C=CC(=O)O

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC(=C2)Br)/C=C/C(=O)O

InChI

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