2-butoxy-7-decoxy-9,10-dihydrophenanthren-1-amine

Systemtic Name: 2-butoxy-7-decoxy-9,10-dihydrophenanthren-1-amine Openeye Name: 2-butoxy-7-decoxy-9,10-dihydrophenanthren-1-amine CAS Name: 2-butoxy-7-decoxy-9,10-dihydrophenanthren-1-amine IUPAC Name: 2-butoxy-7-decoxy-9,10-dihydrophenanthren-1-amine Traditional Name: (2-butoxy-7-decoxy-9,10-dihydrophenanthren-1-yl)amine Formula: C28H41NO2 MolecularWeight: 423.63064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC2=C(C=C1)C3=C(CC2)C(=C(C=C3)OCCCC)N

Isomeric SMILES

CCCCCCCCCCOC1=CC2=C(C=C1)C3=C(CC2)C(=C(C=C3)OCCCC)N

InChI

InChI=1S/C28H41NO2/c1-3-5-7-8-9-10-11-12-20-30-23-14-16-24-22(21-23)13-15-26-25(24)17-18-27(28(26)29)31-19-6-4-2/h14,16-18,21H,3-13,15,19-20,29H2,1-2H3