1-(3-methylbutyl)-14-oxidanyl-14-(phenylmethyl)-1,3,7,12-tetrazacyclopentadecane-2,8,11-trione

Systemtic Name: 1-(3-methylbutyl)-14-oxidanyl-14-(phenylmethyl)-1,3,7,12-tetrazacyclopentadecane-2,8,11-trione Openeye Name: 14-benzyl-14-hydroxy-1-isopentyl-1,3,7,12-tetrazacyclopentadecane-2,8,11-trione CAS Name: 14-hydroxy-1-(3-methylbutyl)-14-(phenylmethyl)-1,3,7,12-tetrazacyclopentadecane-2,8,11-trione IUPAC Name: 14-benzyl-14-hydroxy-1-(3-methylbutyl)-1,3,7,12-tetrazacyclopentadecane-2,8,11-trione Traditional Name: 14-benzyl-14-hydroxy-1-isoamyl-1,3,7,12-tetrazacyclopentadecane-2,8,11-trione Formula: C23H36N4O4 MolecularWeight: 432.55634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CC(CNC(=O)CCC(=O)NCCCNC1=O)(CC2=CC=CC=C2)O

Isomeric SMILES

CC(C)CCN1CC(CNC(=O)CCC(=O)NCCCNC1=O)(CC2=CC=CC=C2)O

InChI

InChI=1S/C23H36N4O4/c1-18(2)11-14-27-17-23(31,15-19-7-4-3-5-8-19)16-26-21(29)10-9-20(28)24-12-6-13-25-22(27)30/h3-5,7-8,18,31H,6,9-17H2,1-2H3,(H,24,28)(H,25,30)(H,26,29)