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

Systemtic Name: 7-heptoxy-2-pentoxy-9,10-dihydrophenanthren-1-amine Openeye Name: 7-heptoxy-2-pentoxy-9,10-dihydrophenanthren-1-amine CAS Name: 7-heptoxy-2-pentoxy-9,10-dihydrophenanthren-1-amine IUPAC Name: 7-heptoxy-2-pentoxy-9,10-dihydrophenanthren-1-amine Traditional Name: (2-amoxy-7-heptoxy-9,10-dihydrophenanthren-1-yl)amine Formula: C26H37NO2 MolecularWeight: 395.57748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC2=C(C=C1)C3=C(CC2)C(=C(C=C3)OCCCCC)N

Isomeric SMILES

CCCCCCCOC1=CC2=C(C=C1)C3=C(CC2)C(=C(C=C3)OCCCCC)N

InChI

InChI=1S/C26H37NO2/c1-3-5-7-8-10-17-28-21-12-14-22-20(19-21)11-13-24-23(22)15-16-25(26(24)27)29-18-9-6-4-2/h12,14-16,19H,3-11,13,17-18,27H2,1-2H3