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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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