1,3-bis[3-(dibutylamino)propyl]-9-methoxy-phenanthrene-2,7-dicarboxylic acid

Systemtic Name: 1,3-bis[3-(dibutylamino)propyl]-9-methoxy-phenanthrene-2,7-dicarboxylic acid Openeye Name: 1,3-bis[3-(dibutylamino)propyl]-9-methoxy-phenanthrene-2,7-dicarboxylic acid CAS Name: 1,3-bis[3-(dibutylamino)propyl]-9-methoxyphenanthrene-2,7-dicarboxylic acid IUPAC Name: 1,3-bis[3-(dibutylamino)propyl]-9-methoxyphenanthrene-2,7-dicarboxylic acid Traditional Name: 1,3-bis[3-(dibutylamino)propyl]-9-methoxy-phenanthrene-2,7-dicarboxylic acid Formula: C39H58N2O5 MolecularWeight: 634.88822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCC1=C(C(=C2C=C(C3=C(C2=C1)C=CC(=C3)C(=O)O)OC)CCCN(CCCC)CCCC)C(=O)O

Isomeric SMILES

CCCCN(CCCC)CCCC1=C(C(=C2C=C(C3=C(C2=C1)C=CC(=C3)C(=O)O)OC)CCCN(CCCC)CCCC)C(=O)O

InChI

InChI=1S/C39H58N2O5/c1-6-10-20-40(21-11-7-2)24-14-16-29-26-33-31-19-18-30(38(42)43)27-35(31)36(46-5)28-34(33)32(37(29)39(44)45)17-15-25-41(22-12-8-3)23-13-9-4/h18-19,26-28H,6-17,20-25H2,1-5H3,(H,42,43)(H,44,45)