(E)-3-[4-(imidazol-1-ylmethyl)-2-(6-phenoxyhexoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-(6-phenoxyhexoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-(6-phenoxyhexoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(1-imidazolylmethyl)-2-(6-phenoxyhexoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-(6-phenoxyhexoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-(6-phenoxyhexoxy)phenyl]acrylic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCCCOC2=C(C=CC(=C2)CN3C=CN=C3)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCCCOC2=C(C=CC(=C2)CN3C=CN=C3)/C=C/C(=O)O

InChI

InChI=1S/C25H28N2O4/c28-25(29)13-12-22-11-10-21(19-27-15-14-26-20-27)18-24(22)31-17-7-2-1-6-16-30-23-8-4-3-5-9-23/h3-5,8-15,18,20H,1-2,6-7,16-17,19H2,(H,28,29)/b13-12+