N-[1,7-bis(oxidanyl)-4-(3-oxidanylpropyl)heptan-4-yl]-3-phenylmethoxy-2-(1,4,7,10-tetrazacyclododec-1-yl)propanamide

Systemtic Name: N-[1,7-bis(oxidanyl)-4-(3-oxidanylpropyl)heptan-4-yl]-3-phenylmethoxy-2-(1,4,7,10-tetrazacyclododec-1-yl)propanamide Openeye Name: 3-benzyloxy-N-[4-hydroxy-1,1-bis(3-hydroxypropyl)butyl]-2-(1,4,7,10-tetrazacyclododec-1-yl)propanamide CAS Name: N-[1,7-dihydroxy-4-(3-hydroxypropyl)heptan-4-yl]-3-phenylmethoxy-2-(1,4,7,10-tetrazacyclododec-1-yl)propanamide IUPAC Name: N-[1,7-dihydroxy-4-(3-hydroxypropyl)heptan-4-yl]-3-phenylmethoxy-2-(1,4,7,10-tetrazacyclododec-1-yl)propanamide Traditional Name: 3-benzoxy-N-[4-hydroxy-1,1-bis(3-hydroxypropyl)butyl]-2-(1,4,7,10-tetrazacyclododec-1-yl)propionamide Formula: C28H51N5O5 MolecularWeight: 537.73504

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)C(COCC2=CC=CC=C2)C(=O)NC(CCCO)(CCCO)CCCO

Isomeric SMILES

C1CNCCN(CCNCCN1)C(COCC2=CC=CC=C2)C(=O)NC(CCCO)(CCCO)CCCO

InChI

InChI=1S/C28H51N5O5/c34-20-4-9-28(10-5-21-35,11-6-22-36)32-27(37)26(24-38-23-25-7-2-1-3-8-25)33-18-16-30-14-12-29-13-15-31-17-19-33/h1-3,7-8,26,29-31,34-36H,4-6,9-24H2,(H,32,37)