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

Systemtic Name: 9-[4-(4-methoxyphenyl)butyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone Openeye Name: 12-isopropyl-9-[4-(4-methoxyphenyl)butyl]-3-methyl-6-methylene-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone CAS Name: 9-[4-(4-methoxyphenyl)butyl]-3-methyl-6-methylene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone IUPAC Name: 9-[4-(4-methoxyphenyl)butyl]-3-methyl-6-methylidene-12-propan-2-yl-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-tetrone Traditional Name: 12-isopropyl-9-[4-(4-methoxyphenyl)butyl]-3-methyl-6-methylene-1-oxa-4,7,10-triazacyclododecane-2,5,8,11-diquinone Formula: C24H33N3O6 MolecularWeight: 459.53532

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)OC(C(=O)NC(C(=O)NC(=C)C(=O)N1)CCCCC2=CC=C(C=C2)OC)C(C)C

Isomeric SMILES

CC1C(=O)OC(C(=O)NC(C(=O)NC(=C)C(=O)N1)CCCCC2=CC=C(C=C2)OC)C(C)C

InChI

InChI=1S/C24H33N3O6/c1-14(2)20-23(30)27-19(9-7-6-8-17-10-12-18(32-5)13-11-17)22(29)25-15(3)21(28)26-16(4)24(31)33-20/h10-14,16,19-20H,3,6-9H2,1-2,4-5H3,(H,25,29)(H,26,28)(H,27,30)