3,12-bis[(4-hydroxyphenyl)methyl]-6-methyl-9,15,18-tri(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]-6-methyl-9,15,18-tri(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]-6,9,18-triisopropyl-15-methyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone CAS Name: 3,12-bis[(4-hydroxyphenyl)methyl]-6-methyl-9,15,18-tri(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]-6-methyl-9,15,18-tri(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone Traditional Name: 3,12-bis(4-hydroxybenzyl)-6,9,18-triisopropyl-15-methyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-triquinone Formula: C36H50N6O8 MolecularWeight: 694.8176

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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)C(C)C)CC2=CC=C(C=C2)O)C(C)C)C(C)C)CC3=CC=C(C=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C36H50N6O8/c1-18(2)28-34(48)37-21(7)31(45)38-26(16-22-8-12-24(43)13-9-22)32(46)41-30(20(5)6)36(50)42-29(19(3)4)35(49)39-27(33(47)40-28)17-23-10-14-25(44)15-11-23/h8-15,18-21,26-30,43-44H,16-17H2,1-7H3,(H,37,48)(H,38,45)(H,39,49)(H,40,47)(H,41,46)(H,42,50)