(E)-2-(3-azanyloxypropyl)-3,5-bis(4-fluorophenyl)-4-imidazol-1-yl-pent-2-enoic acid

Systemtic Name: (E)-2-(3-azanyloxypropyl)-3,5-bis(4-fluorophenyl)-4-imidazol-1-yl-pent-2-enoic acid Openeye Name: (E)-2-(3-aminooxypropyl)-3,5-bis(4-fluorophenyl)-4-imidazol-1-yl-pent-2-enoic acid CAS Name: (E)-2-(3-aminooxypropyl)-3,5-bis(4-fluorophenyl)-4-(1-imidazolyl)-2-pentenoic acid IUPAC Name: (E)-2-(3-aminooxypropyl)-3,5-bis(4-fluorophenyl)-4-imidazol-1-ylpent-2-enoic acid Traditional Name: (E)-2-(3-aminooxypropyl)-3,5-bis(4-fluorophenyl)-4-imidazol-1-yl-pent-2-enoic acid Formula: C23H23F2N3O3 MolecularWeight: 427.443826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=C(CCCON)C(=O)O)C2=CC=C(C=C2)F)N3C=CN=C3)F

Isomeric SMILES

C1=CC(=CC=C1CC(/C(=C(\CCCON)/C(=O)O)/C2=CC=C(C=C2)F)N3C=CN=C3)F

InChI

InChI=1S/C23H23F2N3O3/c24-18-7-3-16(4-8-18)14-21(28-12-11-27-15-28)22(17-5-9-19(25)10-6-17)20(23(29)30)2-1-13-31-26/h3-12,15,21H,1-2,13-14,26H2,(H,29,30)/b22-20+