(E)-3-[3-(1-imidazol-1-ylbutyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(1-imidazol-1-ylbutyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(1-imidazol-1-ylbutyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[1-(1-imidazolyl)butyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(1-imidazol-1-ylbutyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(1-imidazol-1-ylbutyl)phenyl]acrylic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC(=C1)C=CC(=O)O)N2C=CN=C2

Isomeric SMILES

CCCC(C1=CC=CC(=C1)/C=C/C(=O)O)N2C=CN=C2

InChI

InChI=1S/C16H18N2O2/c1-2-4-15(18-10-9-17-12-18)14-6-3-5-13(11-14)7-8-16(19)20/h3,5-12,15H,2,4H2,1H3,(H,19,20)/b8-7+