1-[3-[bis(4-methoxyphenyl)-phenyl-methoxy]propylamino]-4-(3-oxidanylpropylamino)anthracene-9,10-dione

Systemtic Name: 1-[3-[bis(4-methoxyphenyl)-phenyl-methoxy]propylamino]-4-(3-oxidanylpropylamino)anthracene-9,10-dione Openeye Name: 1-[3-[bis(4-methoxyphenyl)-phenyl-methoxy]propylamino]-4-(3-hydroxypropylamino)anthracene-9,10-dione CAS Name: 1-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propylamino]-4-(3-hydroxypropylamino)anthracene-9,10-dione IUPAC Name: 1-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propylamino]-4-(3-hydroxypropylamino)anthracene-9,10-dione Traditional Name: 1-[3-[bis(4-methoxyphenyl)-phenyl-methoxy]propylamino]-4-(3-hydroxypropylamino)-9,10-anthraquinone Formula: C41H40N2O6 MolecularWeight: 656.7661

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCCCNC4=C5C(=C(C=C4)NCCCO)C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCCCNC4=C5C(=C(C=C4)NCCCO)C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C41H40N2O6/c1-47-31-18-14-29(15-19-31)41(28-10-4-3-5-11-28,30-16-20-32(48-2)21-17-30)49-27-9-25-43-36-23-22-35(42-24-8-26-44)37-38(36)40(46)34-13-7-6-12-33(34)39(37)45/h3-7,10-23,42-44H,8-9,24-27H2,1-2H3