4-[2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-ethyl]pyridine sulfate

Systemtic Name: 4-[2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-ethyl]pyridine sulfate Openeye Name: 4-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-phenyl-ethyl]pyridine sulfate CAS Name: 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine sulfate IUPAC Name: 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine sulfate Traditional Name: 4-[2-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-phenyl-ethyl]pyridine sulfate Formula: C25H27NO6S-2 MolecularWeight: 469.54998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC2=CC=NC=C2)C3=CC=CC=C3)OC4CCCC4.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC2=CC=NC=C2)C3=CC=CC=C3)OC4CCCC4.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C25H27NO2.H2O4S/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19;1-5(2,3)4/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3;(H2,1,2,3,4)/p-2