9-[4-methyl-1,7-di(piperidin-1-yl)heptan-4-yl]oxyphenanthrene-2,7-dicarboxylic acid

Systemtic Name: 9-[4-methyl-1,7-di(piperidin-1-yl)heptan-4-yl]oxyphenanthrene-2,7-dicarboxylic acid Openeye Name: 9-[1-methyl-4-(1-piperidyl)-1-[3-(1-piperidyl)propyl]butoxy]phenanthrene-2,7-dicarboxylic acid CAS Name: 9-[4-methyl-1,7-bis(1-piperidinyl)heptan-4-yl]oxyphenanthrene-2,7-dicarboxylic acid IUPAC Name: 9-[4-methyl-1,7-di(piperidin-1-yl)heptan-4-yl]oxyphenanthrene-2,7-dicarboxylic acid Traditional Name: 9-[1-methyl-4-piperidino-1-(3-piperidinopropyl)butoxy]phenanthrene-2,7-dicarboxylic acid Formula: C34H44N2O5 MolecularWeight: 560.72356

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN1CCCCC1)(CCCN2CCCCC2)OC3=C4C=C(C=CC4=C5C=CC(=CC5=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC(CCCN1CCCCC1)(CCCN2CCCCC2)OC3=C4C=C(C=CC4=C5C=CC(=CC5=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C34H44N2O5/c1-34(14-8-20-35-16-4-2-5-17-35,15-9-21-36-18-6-3-7-19-36)41-31-24-27-22-25(32(37)38)10-12-28(27)29-13-11-26(33(39)40)23-30(29)31/h10-13,22-24H,2-9,14-21H2,1H3,(H,37,38)(H,39,40)