3-butan-2-yl-13-hexan-2-yl-6-(hydroxymethyl)-9-(phenylmethyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

Systemtic Name: 3-butan-2-yl-13-hexan-2-yl-6-(hydroxymethyl)-9-(phenylmethyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone Openeye Name: 9-benzyl-6-(hydroxymethyl)-13-(1-methylpentyl)-3-sec-butyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone CAS Name: 3-butan-2-yl-13-hexan-2-yl-6-(hydroxymethyl)-9-(phenylmethyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone IUPAC Name: 9-benzyl-3-butan-2-yl-13-hexan-2-yl-6-(hydroxymethyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone Traditional Name: 9-benzyl-6-methylol-13-(1-methylpentyl)-3-sec-butyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-diquinone Formula: C27H41N3O6 MolecularWeight: 503.63094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)CC)CO)CC2=CC=CC=C2

Isomeric SMILES

CCCCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)CC)CO)CC2=CC=CC=C2

InChI

InChI=1S/C27H41N3O6/c1-5-7-11-18(4)22-15-23(32)28-20(14-19-12-9-8-10-13-19)25(33)29-21(16-31)26(34)30-24(17(3)6-2)27(35)36-22/h8-10,12-13,17-18,20-22,24,31H,5-7,11,14-16H2,1-4H3,(H,28,32)(H,29,33)(H,30,34)