5-[(E)-2-[3-(1-adamantyl)-4-(2-methoxyethoxymethoxy)phenyl]prop-1-enyl]-2-bromanyl-pyridine

Systemtic Name: 5-[(E)-2-[3-(1-adamantyl)-4-(2-methoxyethoxymethoxy)phenyl]prop-1-enyl]-2-bromanyl-pyridine Openeye Name: 5-[(E)-2-[3-(1-adamantyl)-4-(2-methoxyethoxymethoxy)phenyl]prop-1-enyl]-2-bromo-pyridine CAS Name: 5-[(E)-2-[3-(1-adamantyl)-4-(2-methoxyethoxymethoxy)phenyl]prop-1-enyl]-2-bromopyridine IUPAC Name: 5-[(E)-2-[3-(1-adamantyl)-4-(2-methoxyethoxymethoxy)phenyl]prop-1-enyl]-2-bromopyridine Traditional Name: 5-[(E)-2-[3-(1-adamantyl)-4-(2-methoxyethoxymethoxy)phenyl]prop-1-enyl]-2-bromo-pyridine Formula: C28H34BrNO3 MolecularWeight: 512.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CN=C(C=C1)Br)C2=CC(=C(C=C2)OCOCCOC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C/C(=C\C1=CN=C(C=C1)Br)/C2=CC(=C(C=C2)OCOCCOC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H34BrNO3/c1-19(9-20-3-6-27(29)30-17-20)24-4-5-26(33-18-32-8-7-31-2)25(13-24)28-14-21-10-22(15-28)12-23(11-21)16-28/h3-6,9,13,17,21-23H,7-8,10-12,14-16,18H2,1-2H3/b19-9+