(E)-3-[4-(1-imidazol-1-ylbutyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(1-imidazol-1-ylbutyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(1-imidazol-1-ylbutyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[1-(1-imidazolyl)butyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(1-imidazol-1-ylbutyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(1-imidazol-1-ylbutyl)phenyl]acrylic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O2/c1-2-3-15(18-11-10-17-12-18)14-7-4-13(5-8-14)6-9-16(19)20/h4-12,15H,2-3H2,1H3,(H,19,20)/b9-6+