8-fluoranyl-2-heptoxy-7-hexoxy-9,10-dihydrophenanthren-1-amine

Systemtic Name: 8-fluoranyl-2-heptoxy-7-hexoxy-9,10-dihydrophenanthren-1-amine Openeye Name: 8-fluoro-2-heptoxy-7-hexoxy-9,10-dihydrophenanthren-1-amine CAS Name: 8-fluoro-2-heptoxy-7-hexoxy-9,10-dihydrophenanthren-1-amine IUPAC Name: 8-fluoro-2-heptoxy-7-hexoxy-9,10-dihydrophenanthren-1-amine Traditional Name: (8-fluoro-2-heptoxy-7-hexoxy-9,10-dihydrophenanthren-1-yl)amine Formula: C27H38FNO2 MolecularWeight: 427.594523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C2=C(C=C1)C3=C(CC2)C(=C(C=C3)OCCCCCC)F)N

Isomeric SMILES

CCCCCCCOC1=C(C2=C(C=C1)C3=C(CC2)C(=C(C=C3)OCCCCCC)F)N

InChI

InChI=1S/C27H38FNO2/c1-3-5-7-9-11-19-31-25-17-15-21-20-14-16-24(30-18-10-8-6-4-2)26(28)22(20)12-13-23(21)27(25)29/h14-17H,3-13,18-19,29H2,1-2H3