1,2-bis(4-piperidin-1-ylbutyl)fluoranthene-3,9-dicarboxylate

Systemtic Name: 1,2-bis(4-piperidin-1-ylbutyl)fluoranthene-3,9-dicarboxylate Openeye Name: 1,2-bis[4-(1-piperidyl)butyl]fluoranthene-3,9-dicarboxylate CAS Name: 1,2-bis[4-(1-piperidinyl)butyl]fluoranthene-3,9-dicarboxylate IUPAC Name: 1,2-bis(4-piperidin-1-ylbutyl)fluoranthene-3,9-dicarboxylate Traditional Name: 1,2-bis(4-piperidinobutyl)fluoranthene-3,9-dicarboxylate Formula: C36H42N2O4-2 MolecularWeight: 566.72968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCC2=C3C4=C(C=CC(=C4)C(=O)[O-])C5=CC=CC(=C53)C(=C2CCCCN6CCCCC6)C(=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCCCC2=C3C4=C(C=CC(=C4)C(=O)[O-])C5=CC=CC(=C53)C(=C2CCCCN6CCCCC6)C(=O)[O-]

InChI

InChI=1S/C36H44N2O4/c39-35(40)25-16-17-26-27-14-11-15-30-32(27)33(31(26)24-25)28(12-3-9-22-37-18-5-1-6-19-37)29(34(30)36(41)42)13-4-10-23-38-20-7-2-8-21-38/h11,14-17,24H,1-10,12-13,18-23H2,(H,39,40)(H,41,42)/p-2