3,12-bis[(4-hydroxyphenyl)methyl]-9-methyl-18-(phenylmethyl)-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-(phenylmethyl)-6,15-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone Openeye Name: 3-benzyl-6,15-bis[(4-hydroxyphenyl)methyl]-9,18-diisopropyl-12-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-(phenylmethyl)-6,15-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone IUPAC Name: 3-benzyl-6,15-bis[(4-hydroxyphenyl)methyl]-12-methyl-9,18-di(propan-2-yl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone Traditional Name: 3-benzyl-6,15-bis(4-hydroxybenzyl)-9,18-diisopropyl-12-methyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-triquinone Formula: C40H50N6O8 MolecularWeight: 742.8604

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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)CC3=CC=CC=C3)CC4=CC=C(C=C4)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)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(C)C

InChI

InChI=1S/C40H50N6O8/c1-22(2)33-39(53)44-31(21-27-13-17-29(48)18-14-27)37(51)42-32(19-25-9-7-6-8-10-25)38(52)46-34(23(3)4)40(54)43-30(20-26-11-15-28(47)16-12-26)36(50)41-24(5)35(49)45-33/h6-18,22-24,30-34,47-48H,19-21H2,1-5H3,(H,41,50)(H,42,51)(H,43,54)(H,44,53)(H,45,49)(H,46,52)