2-butoxy-8-fluoranyl-7-octoxy-9,10-dihydrophenanthren-1-amine

Systemtic Name: 2-butoxy-8-fluoranyl-7-octoxy-9,10-dihydrophenanthren-1-amine Openeye Name: 2-butoxy-8-fluoro-7-octoxy-9,10-dihydrophenanthren-1-amine CAS Name: 2-butoxy-8-fluoro-7-octoxy-9,10-dihydrophenanthren-1-amine IUPAC Name: 2-butoxy-8-fluoro-7-octoxy-9,10-dihydrophenanthren-1-amine Traditional Name: (2-butoxy-8-fluoro-7-octoxy-9,10-dihydrophenanthren-1-yl)amine Formula: C26H36FNO2 MolecularWeight: 413.567943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C(C=C1)C3=C(CC2)C(=C(C=C3)OCCCC)N)F

Isomeric SMILES

CCCCCCCCOC1=C(C2=C(C=C1)C3=C(CC2)C(=C(C=C3)OCCCC)N)F

InChI

InChI=1S/C26H36FNO2/c1-3-5-7-8-9-10-18-29-23-15-13-19-20-14-16-24(30-17-6-4-2)26(28)22(20)12-11-21(19)25(23)27/h13-16H,3-12,17-18,28H2,1-2H3