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

Systemtic Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-(4-phenoxybutoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-(4-phenoxybutoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(1-imidazolylmethyl)-2-(4-phenoxybutoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-(4-phenoxybutoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-(4-phenoxybutoxy)phenyl]acrylic acid Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCOC2=C(C=CC(=C2)CN3C=CN=C3)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCOC2=C(C=CC(=C2)CN3C=CN=C3)/C=C/C(=O)O

InChI

InChI=1S/C23H24N2O4/c26-23(27)11-10-20-9-8-19(17-25-13-12-24-18-25)16-22(20)29-15-5-4-14-28-21-6-2-1-3-7-21/h1-3,6-13,16,18H,4-5,14-15,17H2,(H,26,27)/b11-10+