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

Systemtic Name: (E)-2-cyano-3-[4-(dihexylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[4-(dihexylamino)phenyl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[4-(dihexylamino)phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[4-(dihexylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[4-(dihexylamino)phenyl]acrylic acid Formula: C22H32N2O2 MolecularWeight: 356.50168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=CC=C(C=C1)C=C(C#N)C(=O)O

Isomeric SMILES

CCCCCCN(CCCCCC)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C22H32N2O2/c1-3-5-7-9-15-24(16-10-8-6-4-2)21-13-11-19(12-14-21)17-20(18-23)22(25)26/h11-14,17H,3-10,15-16H2,1-2H3,(H,25,26)/b20-17+