(E)-3-[3-bromanyl-4-(3-phenylpropoxy)phenyl]-2-cyano-prop-2-enoic acid

Systemtic Name: (E)-3-[3-bromanyl-4-(3-phenylpropoxy)phenyl]-2-cyano-prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-4-(3-phenylpropoxy)phenyl]-2-cyano-prop-2-enoic acid CAS Name: (E)-3-[3-bromo-4-(3-phenylpropoxy)phenyl]-2-cyano-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-4-(3-phenylpropoxy)phenyl]-2-cyanoprop-2-enoic acid Traditional Name: (E)-3-[3-bromo-4-(3-phenylpropoxy)phenyl]-2-cyano-acrylic acid Formula: C19H16BrNO3 MolecularWeight: 386.23924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC2=C(C=C(C=C2)C=C(C#N)C(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCOC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)O)Br

InChI

InChI=1S/C19H16BrNO3/c20-17-12-15(11-16(13-21)19(22)23)8-9-18(17)24-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,22,23)/b16-11+