O1-tert-butyl O2-(1,7-dipyridin-3-ylheptan-4-yl) piperidine-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-(1,7-dipyridin-3-ylheptan-4-yl) piperidine-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-[4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl] piperidine-1,2-dicarboxylate CAS Name: piperidine-1,2-dicarboxylic acid O2-[1,7-bis(3-pyridinyl)heptan-4-yl] ester O1-tert-butyl ester IUPAC Name: 1-O-tert-butyl 2-O-(1,7-dipyridin-3-ylheptan-4-yl) piperidine-1,2-dicarboxylate Traditional Name: piperidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-[4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl] ester Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC1C(=O)OC(CCCC2=CN=CC=C2)CCCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCCC1C(=O)OC(CCCC2=CN=CC=C2)CCCC3=CN=CC=C3

InChI

InChI=1S/C28H39N3O4/c1-28(2,3)35-27(33)31-19-5-4-16-25(31)26(32)34-24(14-6-10-22-12-8-17-29-20-22)15-7-11-23-13-9-18-30-21-23/h8-9,12-13,17-18,20-21,24-25H,4-7,10-11,14-16,19H2,1-3H3