dipropan-2-yl 2,5-bis(7-methanoyl-1,4,7,10-tetrazacyclododec-1-yl)hexanedioate

Systemtic Name: dipropan-2-yl 2,5-bis(7-methanoyl-1,4,7,10-tetrazacyclododec-1-yl)hexanedioate Openeye Name: diisopropyl 2,5-bis(7-formyl-1,4,7,10-tetrazacyclododec-1-yl)hexanedioate CAS Name: 2,5-bis(7-formyl-1,4,7,10-tetrazacyclododec-1-yl)hexanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 2,5-bis(7-formyl-1,4,7,10-tetrazacyclododec-1-yl)hexanedioate Traditional Name: 2,5-bis(7-formyl-1,4,7,10-tetrazacyclododec-1-yl)adipic acid diisopropyl ester Formula: C30H58N8O6 MolecularWeight: 626.83152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCC(C(=O)OC(C)C)N1CCNCCN(CCNCC1)C=O)N2CCNCCN(CCNCC2)C=O

Isomeric SMILES

CC(C)OC(=O)C(CCC(C(=O)OC(C)C)N1CCNCCN(CCNCC1)C=O)N2CCNCCN(CCNCC2)C=O

InChI

InChI=1S/C30H58N8O6/c1-25(2)43-29(41)27(37-19-11-31-7-15-35(23-39)16-8-32-12-20-37)5-6-28(30(42)44-26(3)4)38-21-13-33-9-17-36(24-40)18-10-34-14-22-38/h23-28,31-34H,5-22H2,1-4H3