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

Systemtic Name: 2,2-bis[2,2,6,6-tetrakis(5-methyl-2-propan-2-yl-cyclohexyl)piperidin-4-yl]decanedioate Openeye Name: 2,2-bis[2,2,6,6-tetrakis(2-isopropyl-5-methyl-cyclohexyl)-4-piperidyl]decanedioate CAS Name: 2,2-bis[2,2,6,6-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)-4-piperidinyl]decanedioate IUPAC Name: 2,2-bis[2,2,6,6-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)piperidin-4-yl]decanedioate Traditional Name: 2,2-bis[2,2,6,6-tetrakis(2-isopropyl-5-methyl-cyclohexyl)-4-piperidyl]sebacate Formula: C100H178N2O4-2 MolecularWeight: 1472.49432

Click to see the large picture

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-])(C5CC(NC(C5)(C6CC(CCC6C(C)C)C)C7CC(CCC7C(C)C)C)(C8CC(CCC8C(C)C)C)C9CC(CCC9C(C)C)C)C(=O)[O-])C1CC(CCC1C(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-])(C5CC(NC(C5)(C6CC(CCC6C(C)C)C)C7CC(CCC7C(C)C)C)(C8CC(CCC8C(C)C)C)C9CC(CCC9C(C)C)C)C(=O)[O-])C1CC(CCC1C(C)C)C)C(C)C

InChI

InChI=1S/C100H180N2O4/c1-60(2)78-39-31-68(17)48-86(78)97(87-49-69(18)32-40-79(87)61(3)4)56-76(57-98(101-97,88-50-70(19)33-41-80(88)62(5)6)89-51-71(20)34-42-81(89)63(7)8)96(95(105)106,47-29-27-25-26-28-30-94(103)104)77-58-99(90-52-72(21)35-43-82(90)64(9)10,91-53-73(22)36-44-83(91)65(11)12)102-100(59-77,92-54-74(23)37-45-84(92)66(13)14)93-55-75(24)38-46-85(93)67(15)16/h60-93,101-102H,25-59H2,1-24H3,(H,103,104)(H,105,106)/p-2