dipropan-2-yl 2,3-bis(7-methanoyl-1,4,7,10-tetrazacyclododec-1-yl)butanedioate

Systemtic Name: dipropan-2-yl 2,3-bis(7-methanoyl-1,4,7,10-tetrazacyclododec-1-yl)butanedioate Openeye Name: diisopropyl 2,3-bis(7-formyl-1,4,7,10-tetrazacyclododec-1-yl)butanedioate CAS Name: 2,3-bis(7-formyl-1,4,7,10-tetrazacyclododec-1-yl)butanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 2,3-bis(7-formyl-1,4,7,10-tetrazacyclododec-1-yl)butanedioate Traditional Name: 2,3-bis(7-formyl-1,4,7,10-tetrazacyclododec-1-yl)succinic acid diisopropyl ester Formula: C28H54N8O6 MolecularWeight: 598.77836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H54N8O6/c1-23(2)41-27(39)25(35-17-9-29-5-13-33(21-37)14-6-30-10-18-35)26(28(40)42-24(3)4)36-19-11-31-7-15-34(22-38)16-8-32-12-20-36/h21-26,29-32H,5-20H2,1-4H3