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

Systemtic Name: 9-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone Openeye Name: 12-isopropyl-9-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-methylene-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone CAS Name: 9-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-methylene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone IUPAC Name: 9-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone Traditional Name: 12-isopropyl-9-[2-(4-methoxyphenyl)ethyl]-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)CCC2=CC=C(C=C2)OC)C(C)C

Isomeric SMILES

CC1C(=O)OC(C(=O)NC(C(=O)NC(=C)C(=O)N1)CCC2=CC=C(C=C2)OC)C(C)C

InChI

InChI=1S/C22H29N3O6/c1-12(2)18-21(28)25-17(11-8-15-6-9-16(30-5)10-7-15)20(27)23-13(3)19(26)24-14(4)22(29)31-18/h6-7,9-10,12,14,17-18H,3,8,11H2,1-2,4-5H3,(H,23,27)(H,24,26)(H,25,28)