N-[5-acetamido-2,4-bis(1,4,7,10-tetrazacyclododec-1-yl)phenyl]ethanamide

Systemtic Name: N-[5-acetamido-2,4-bis(1,4,7,10-tetrazacyclododec-1-yl)phenyl]ethanamide Openeye Name: N-[5-acetamido-2,4-bis(1,4,7,10-tetrazacyclododec-1-yl)phenyl]acetamide CAS Name: N-[5-acetamido-2,4-bis(1,4,7,10-tetrazacyclododec-1-yl)phenyl]acetamide IUPAC Name: N-[5-acetamido-2,4-bis(1,4,7,10-tetrazacyclododec-1-yl)phenyl]acetamide Traditional Name: N-[5-acetamido-2,4-bis(1,4,7,10-tetrazacyclododec-1-yl)phenyl]acetamide Formula: C26H48N10O2 MolecularWeight: 532.72512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N2CCNCCNCCNCC2)N3CCNCCNCCNCC3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N2CCNCCNCCNCC2)N3CCNCCNCCNCC3)NC(=O)C

InChI

InChI=1S/C26H48N10O2/c1-21(37)33-23-19-24(34-22(2)38)26(36-17-13-31-9-5-28-6-10-32-14-18-36)20-25(23)35-15-11-29-7-3-27-4-8-30-12-16-35/h19-20,27-32H,3-18H2,1-2H3,(H,33,37)(H,34,38)