bis[3-(dibutylamino)propyl] 6-oxidanylidene-5H-phenanthridine-3,8-dicarboxylate dihydrochloride

Systemtic Name: bis[3-(dibutylamino)propyl] 6-oxidanylidene-5H-phenanthridine-3,8-dicarboxylate dihydrochloride Openeye Name: bis[3-(dibutylamino)propyl] 6-oxo-5H-phenanthridine-3,8-dicarboxylate dihydrochloride CAS Name: 6-oxo-5H-phenanthridine-3,8-dicarboxylic acid bis[3-(dibutylamino)propyl] ester dihydrochloride IUPAC Name: bis[3-(dibutylamino)propyl] 6-oxo-5H-phenanthridine-3,8-dicarboxylate dihydrochloride Traditional Name: 6-keto-5H-phenanthridine-3,8-dicarboxylic acid bis[3-(dibutylamino)propyl] ester dihydrochloride Formula: C37H57Cl2N3O5 MolecularWeight: 694.77158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCOC(=O)C1=CC2=C(C=C1)C3=C(C=C(C=C3)C(=O)OCCCN(CCCC)CCCC)NC2=O.Cl.Cl

Isomeric SMILES

CCCCN(CCCC)CCCOC(=O)C1=CC2=C(C=C1)C3=C(C=C(C=C3)C(=O)OCCCN(CCCC)CCCC)NC2=O.Cl.Cl

InChI

InChI=1S/C37H55N3O5.2ClH/c1-5-9-19-39(20-10-6-2)23-13-25-44-36(42)29-15-17-31-32-18-16-30(28-34(32)38-35(41)33(31)27-29)37(43)45-26-14-24-40(21-11-7-3)22-12-8-4;;/h15-18,27-28H,5-14,19-26H2,1-4H3,(H,38,41);2*1H