8-butan-2-yl-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-2,14-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone

Systemtic Name: 8-butan-2-yl-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-2,14-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone Openeye Name: 28-ethyl-2,14-diisopropyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-8-sec-butyl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone CAS Name: 8-butan-2-yl-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-2,14-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone IUPAC Name: 8-butan-2-yl-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-2,14-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone Traditional Name: 28-ethyl-2,14-diisopropyl-7,13,16,20,22,22,25,29-octamethyl-17-p-anisyl-8-sec-butyl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-pentaquinone Formula: C49H78N8O12 MolecularWeight: 971.19002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(=O)OC(C(=O)NCC(=O)N(C(C(=O)NCC(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)C(C(=O)NC(C(=O)N1)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)C(C)CC)C)C(C)C)C

Isomeric SMILES

CCC1C(C(=O)OC(C(=O)NCC(=O)N(C(C(=O)NCC(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)C(C(=O)NC(C(=O)N1)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)C(C)CC)C)C(C)C)C

InChI

InChI=1S/C49H78N8O12/c1-17-28(7)39-44(63)50-24-36(58)56(14)38(26(3)4)46(65)55(13)35(23-32-19-21-33(68-16)22-20-32)43(62)52-30(9)41(60)49(11,12)48(67)53-31(10)42(61)54-34(18-2)29(8)47(66)69-40(27(5)6)45(64)51-25-37(59)57(39)15/h19-22,26-31,34-35,38-40H,17-18,23-25H2,1-16H3,(H,50,63)(H,51,64)(H,52,62)(H,53,67)(H,54,61)