6-methyl-3-(2-methylhexyl)-9-(phenylmethyl)-13-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

Systemtic Name: 6-methyl-3-(2-methylhexyl)-9-(phenylmethyl)-13-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone Openeye Name: 9-benzyl-13-isopropyl-6-methyl-3-(2-methylhexyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone CAS Name: 6-methyl-3-(2-methylhexyl)-9-(phenylmethyl)-13-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone IUPAC Name: 9-benzyl-6-methyl-3-(2-methylhexyl)-13-propan-2-yl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone Traditional Name: 9-benzyl-13-isopropyl-6-methyl-3-(2-methylhexyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-diquinone Formula: C27H41N3O5 MolecularWeight: 487.63154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC1C(=O)OC(CC(=O)NC(C(=O)NC(C(=O)N1)C)CC2=CC=CC=C2)C(C)C

Isomeric SMILES

CCCCC(C)CC1C(=O)OC(CC(=O)NC(C(=O)NC(C(=O)N1)C)CC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C27H41N3O5/c1-6-7-11-18(4)14-22-27(34)35-23(17(2)3)16-24(31)29-21(15-20-12-9-8-10-13-20)26(33)28-19(5)25(32)30-22/h8-10,12-13,17-19,21-23H,6-7,11,14-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)