2-[2,2,6,6-tetrakis(5-methyl-2-propan-2-yl-cyclohexyl)piperidin-4-yl]decanedioic acid

Systemtic Name: 2-[2,2,6,6-tetrakis(5-methyl-2-propan-2-yl-cyclohexyl)piperidin-4-yl]decanedioic acid Openeye Name: 2-[2,2,6,6-tetrakis(2-isopropyl-5-methyl-cyclohexyl)-4-piperidyl]decanedioic acid CAS Name: 2-[2,2,6,6-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)-4-piperidinyl]decanedioic acid IUPAC Name: 2-[2,2,6,6-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]decanedioic acid Traditional Name: 2-[2,2,6,6-tetrakis(2-isopropyl-5-methyl-cyclohexyl)-4-piperidyl]sebacic acid Formula: C55H99NO4 MolecularWeight: 838.37886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C2(CC(CC(N2)(C3CC(CCC3C(C)C)C)C4CC(CCC4C(C)C)C)C(CCCCCCCC(=O)O)C(=O)O)C5CC(CCC5C(C)C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)C2(CC(CC(N2)(C3CC(CCC3C(C)C)C)C4CC(CCC4C(C)C)C)C(CCCCCCCC(=O)O)C(=O)O)C5CC(CCC5C(C)C)C)C(C)C

InChI

InChI=1S/C55H99NO4/c1-34(2)43-24-20-38(9)28-48(43)54(49-29-39(10)21-25-44(49)35(3)4)32-42(47(53(59)60)18-16-14-13-15-17-19-52(57)58)33-55(56-54,50-30-40(11)22-26-45(50)36(5)6)51-31-41(12)23-27-46(51)37(7)8/h34-51,56H,13-33H2,1-12H3,(H,57,58)(H,59,60)