9-[3-(4-hydroxyphenyl)propyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone

Systemtic Name: 9-[3-(4-hydroxyphenyl)propyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone Openeye Name: 9-[3-(4-hydroxyphenyl)propyl]-12-isopropyl-3-methyl-6-methylene-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone CAS Name: 9-[3-(4-hydroxyphenyl)propyl]-3-methyl-6-methylene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone IUPAC Name: 9-[3-(4-hydroxyphenyl)propyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone Traditional Name: 9-[3-(4-hydroxyphenyl)propyl]-12-isopropyl-3-methyl-6-methylene-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-diquinone Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)OC(C(=O)NC(C(=O)NC(=C)C(=O)N1)CCCC2=CC=C(C=C2)O)C(C)C

Isomeric SMILES

CC1C(=O)OC(C(=O)NC(C(=O)NC(=C)C(=O)N1)CCCC2=CC=C(C=C2)O)C(C)C

InChI

InChI=1S/C22H29N3O6/c1-12(2)18-21(29)25-17(7-5-6-15-8-10-16(26)11-9-15)20(28)23-13(3)19(27)24-14(4)22(30)31-18/h8-12,14,17-18,26H,3,5-7H2,1-2,4H3,(H,23,28)(H,24,27)(H,25,29)