[3,5,5-trimethyl-2-oxidanylidene-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxidanylidene-4-(2-oxidanylidenepropylcarbamoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] 2-acetamidoethanoate

Systemtic Name: [3,5,5-trimethyl-2-oxidanylidene-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxidanylidene-4-(2-oxidanylidenepropylcarbamoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] 2-acetamidoethanoate Openeye Name: [4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-(acetonylcarbamoyloxy)-2,6,6-trimethyl-3-oxo-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxo-cyclohex-3-en-1-yl] 2-acetamidoacetate CAS Name: 2-acetamidoacetic acid [3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-[oxo-(2-oxopropylamino)methoxy]-1-cyclohexenyl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1-cyclohex-3-enyl] ester IUPAC Name: [3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(2-oxopropylcarbamoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] 2-acetamidoacetate Traditional Name: 2-acetamidoacetic acid [4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[4-(acetonylcarbamoyloxy)-3-keto-2,6,6-trimethyl-cyclohexen-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2-keto-3,5,5-trimethyl-cyclohex-3-en-1-yl] ester Formula: C48H62N2O8 MolecularWeight: 795.01448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(C1=O)OC(=O)CNC(=O)C)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)OC(=O)NCC(=O)C)C)C)C

Isomeric SMILES

CC1=C(C(CC(C1=O)OC(=O)CNC(=O)C)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)C(CC2(C)C)OC(=O)NCC(=O)C)C)/C)/C

InChI

InChI=1S/C48H62N2O8/c1-31(19-15-21-33(3)23-25-39-36(6)44(54)41(27-47(39,9)10)57-43(53)30-49-38(8)52)17-13-14-18-32(2)20-16-22-34(4)24-26-40-37(7)45(55)42(28-48(40,11)12)58-46(56)50-29-35(5)51/h13-26,41-42H,27-30H2,1-12H3,(H,49,52)(H,50,56)/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+