3,12-bis[(4-hydroxyphenyl)methyl]-9-methyl-18-(2-methylpropyl)-6,15-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone

Systemtic Name: 3,12-bis[(4-hydroxyphenyl)methyl]-9-methyl-18-(2-methylpropyl)-6,15-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone Openeye Name: 3,12-bis[(4-hydroxyphenyl)methyl]-9-isobutyl-6,15-diisopropyl-18-methyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone CAS Name: 3,12-bis[(4-hydroxyphenyl)methyl]-9-methyl-18-(2-methylpropyl)-6,15-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone IUPAC Name: 3,12-bis[(4-hydroxyphenyl)methyl]-9-methyl-18-(2-methylpropyl)-6,15-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone Traditional Name: 3,12-bis(4-hydroxybenzyl)-9-isobutyl-6,15-diisopropyl-18-methyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-triquinone Formula: C37H52N6O8 MolecularWeight: 708.84418

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)C(C)C)CC(C)C)CC3=CC=C(C=C3)O)C(C)C

Isomeric SMILES

CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)C(C)C)CC(C)C)CC3=CC=C(C=C3)O)C(C)C

InChI

InChI=1S/C37H52N6O8/c1-19(2)16-27-35(49)43-31(21(5)6)37(51)40-28(17-23-8-12-25(44)13-9-23)33(47)38-22(7)32(46)42-30(20(3)4)36(50)41-29(34(48)39-27)18-24-10-14-26(45)15-11-24/h8-15,19-22,27-31,44-45H,16-18H2,1-7H3,(H,38,47)(H,39,48)(H,40,51)(H,41,50)(H,42,46)(H,43,49)