3-[(E)-4-chloranyl-1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenyl-but-1-enyl]phenol

Systemtic Name: 3-[(E)-4-chloranyl-1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenyl-but-1-enyl]phenol Openeye Name: 3-[(E)-4-chloro-1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenyl-but-1-enyl]phenol CAS Name: 3-[(E)-4-chloro-1-[4-[2-(1-imidazolyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol IUPAC Name: 3-[(E)-4-chloro-1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylbut-1-enyl]phenol Traditional Name: 3-[(E)-4-chloro-1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenyl-but-1-enyl]phenol Formula: C27H25ClN2O2 MolecularWeight: 444.9526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OCCN3C=CN=C3)C4=CC(=CC=C4)O)CCCl

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(\C2=CC=C(C=C2)OCCN3C=CN=C3)/C4=CC(=CC=C4)O)/CCCl

InChI

InChI=1S/C27H25ClN2O2/c28-14-13-26(21-5-2-1-3-6-21)27(23-7-4-8-24(31)19-23)22-9-11-25(12-10-22)32-18-17-30-16-15-29-20-30/h1-12,15-16,19-20,31H,13-14,17-18H2/b27-26+