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

Systemtic Name: 13-hexyl-6-methyl-3-(2-methylpropyl)-9-(phenylmethyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone Openeye Name: 9-benzyl-13-hexyl-3-isobutyl-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone CAS Name: 13-hexyl-6-methyl-3-(2-methylpropyl)-9-(phenylmethyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone IUPAC Name: 9-benzyl-13-hexyl-6-methyl-3-(2-methylpropyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone Traditional Name: 9-benzyl-13-hexyl-3-isobutyl-6-methyl-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:

CCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)CC(C)C)C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)CC(C)C)C)CC2=CC=CC=C2

InChI

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