3-butan-2-yl-6-(1-methoxyindol-3-yl)-9-(6-oxidanylideneoctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

Systemtic Name: 3-butan-2-yl-6-(1-methoxyindol-3-yl)-9-(6-oxidanylideneoctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone Openeye Name: 6-(1-methoxyindol-3-yl)-9-(6-oxooctyl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone CAS Name: 3-butan-2-yl-6-(1-methoxy-3-indolyl)-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone IUPAC Name: 3-butan-2-yl-6-(1-methoxyindol-3-yl)-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone Traditional Name: 9-(6-ketooctyl)-6-(1-methoxyindol-3-yl)-3-sec-butyl-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-diquinone Formula: C33H47N5O6 MolecularWeight: 609.75618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N1)C3=CN(C4=CC=CC=C43)OC)CCCCCC(=O)CC

Isomeric SMILES

CCC(C)C1C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N1)C3=CN(C4=CC=CC=C43)OC)CCCCCC(=O)CC

InChI

InChI=1S/C33H47N5O6/c1-5-21(3)28-33(43)37-19-13-12-18-27(37)31(41)34-25(16-9-7-8-14-22(39)6-2)30(40)36-29(32(42)35-28)24-20-38(44-4)26-17-11-10-15-23(24)26/h10-11,15,17,20-21,25,27-29H,5-9,12-14,16,18-19H2,1-4H3,(H,34,41)(H,35,42)(H,36,40)