1,2-bis(1-piperidin-1-ylpentyl)-9H-xanthene-3,6-dicarboxylate

Systemtic Name: 1,2-bis(1-piperidin-1-ylpentyl)-9H-xanthene-3,6-dicarboxylate Openeye Name: 1,2-bis[1-(1-piperidyl)pentyl]-9H-xanthene-3,6-dicarboxylate CAS Name: 1,2-bis[1-(1-piperidinyl)pentyl]-9H-xanthene-3,6-dicarboxylate IUPAC Name: 1,2-bis(1-piperidin-1-ylpentyl)-9H-xanthene-3,6-dicarboxylate Traditional Name: 1,2-bis(1-piperidinopentyl)-9H-xanthene-3,6-dicarboxylate Formula: C35H46N2O5-2 MolecularWeight: 574.75014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(C(=CC2=C1CC3=C(O2)C=C(C=C3)C(=O)[O-])C(=O)[O-])C(CCCC)N4CCCCC4)N5CCCCC5

Isomeric SMILES

CCCCC(C1=C(C(=CC2=C1CC3=C(O2)C=C(C=C3)C(=O)[O-])C(=O)[O-])C(CCCC)N4CCCCC4)N5CCCCC5

InChI

InChI=1S/C35H48N2O5/c1-3-5-13-28(36-17-9-7-10-18-36)32-26-21-24-15-16-25(34(38)39)22-30(24)42-31(26)23-27(35(40)41)33(32)29(14-6-4-2)37-19-11-8-12-20-37/h15-16,22-23,28-29H,3-14,17-21H2,1-2H3,(H,38,39)(H,40,41)/p-2