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

Systemtic Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-(3-phenoxypropoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-(3-phenoxypropoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-(1-imidazolylmethyl)-2-(3-phenoxypropoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-(3-phenoxypropoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(imidazol-1-ylmethyl)-2-(3-phenoxypropoxy)phenyl]acrylic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCOC2=C(C=CC(=C2)CN3C=CN=C3)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCOC2=C(C=CC(=C2)CN3C=CN=C3)/C=C/C(=O)O

InChI

InChI=1S/C22H22N2O4/c25-22(26)10-9-19-8-7-18(16-24-12-11-23-17-24)15-21(19)28-14-4-13-27-20-5-2-1-3-6-20/h1-3,5-12,15,17H,4,13-14,16H2,(H,25,26)/b10-9+