2-octoxy-7-pentoxy-9,10-dihydrophenanthren-1-amine

Systemtic Name: 2-octoxy-7-pentoxy-9,10-dihydrophenanthren-1-amine Openeye Name: 2-octoxy-7-pentoxy-9,10-dihydrophenanthren-1-amine CAS Name: 2-octoxy-7-pentoxy-9,10-dihydrophenanthren-1-amine IUPAC Name: 2-octoxy-7-pentoxy-9,10-dihydrophenanthren-1-amine Traditional Name: (7-amoxy-2-octoxy-9,10-dihydrophenanthren-1-yl)amine Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C2=C(C=C1)C3=C(CC2)C=C(C=C3)OCCCCC)N

Isomeric SMILES

CCCCCCCCOC1=C(C2=C(C=C1)C3=C(CC2)C=C(C=C3)OCCCCC)N

InChI

InChI=1S/C27H39NO2/c1-3-5-7-8-9-11-19-30-26-17-16-24-23-15-13-22(29-18-10-6-4-2)20-21(23)12-14-25(24)27(26)28/h13,15-17,20H,3-12,14,18-19,28H2,1-2H3