2-methyl-1-[4,8,11-tris(2-methylpropanoyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4,8,11-tris(2-methylpropanoyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4,8,11-tris(2-methylpropanoyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propan-1-one CAS Name: 2-methyl-1-[4,8,11-tris(2-methyl-1-oxopropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]-1-propanone IUPAC Name: 2-methyl-1-[4,8,11-tris(2-methylpropanoyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propan-1-one Traditional Name: 2-methyl-1-(4,8,11-triisobutyryl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-one Formula: C26H48N4O4 MolecularWeight: 480.68372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCCN(CCN(CCCN(CC1)C(=O)C(C)C)C(=O)C(C)C)C(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)N1CCCN(CCN(CCCN(CC1)C(=O)C(C)C)C(=O)C(C)C)C(=O)C(C)C

InChI

InChI=1S/C26H48N4O4/c1-19(2)23(31)27-11-9-12-29(25(33)21(5)6)17-18-30(26(34)22(7)8)14-10-13-28(16-15-27)24(32)20(3)4/h19-22H,9-18H2,1-8H3