(E)-3-[4-[2-hexyl-4-[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]-1H-imidazol-5-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[2-hexyl-4-[4-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]-1H-imidazol-5-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[2-hexyl-4-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]-1H-imidazol-5-yl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[2-hexyl-4-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-1H-imidazol-5-yl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[2-hexyl-4-[4-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]-1H-imidazol-5-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[2-hexyl-4-[4-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenyl]-1H-imidazol-5-yl]phenyl]acrylic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=C(N1)C2=CC=C(C=C2)C=CC(=O)O)C3=CC=C(C=C3)C=CC(=O)O

Isomeric SMILES

CCCCCCC1=NC(=C(N1)C2=CC=C(C=C2)/C=C/C(=O)O)C3=CC=C(C=C3)/C=C/C(=O)O

InChI

InChI=1S/C27H28N2O4/c1-2-3-4-5-6-23-28-26(21-13-7-19(8-14-21)11-17-24(30)31)27(29-23)22-15-9-20(10-16-22)12-18-25(32)33/h7-18H,2-6H2,1H3,(H,28,29)(H,30,31)(H,32,33)/b17-11+,18-12+