N,N-bis(2-hydroxyethyl)-3-phenylmethoxy-2-(1,4,7,10-tetrazacyclododec-1-yl)propanamide

Systemtic Name: N,N-bis(2-hydroxyethyl)-3-phenylmethoxy-2-(1,4,7,10-tetrazacyclododec-1-yl)propanamide Openeye Name: 3-benzyloxy-N,N-bis(2-hydroxyethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)propanamide CAS Name: N,N-bis(2-hydroxyethyl)-3-phenylmethoxy-2-(1,4,7,10-tetrazacyclododec-1-yl)propanamide IUPAC Name: N,N-bis(2-hydroxyethyl)-3-phenylmethoxy-2-(1,4,7,10-tetrazacyclododec-1-yl)propanamide Traditional Name: 3-benzoxy-N,N-bis(2-hydroxyethyl)-2-(1,4,7,10-tetrazacyclododec-1-yl)propionamide Formula: C22H39N5O4 MolecularWeight: 437.57616

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)C(COCC2=CC=CC=C2)C(=O)N(CCO)CCO

Isomeric SMILES

C1CNCCN(CCNCCN1)C(COCC2=CC=CC=C2)C(=O)N(CCO)CCO

InChI

InChI=1S/C22H39N5O4/c28-16-14-27(15-17-29)22(30)21(19-31-18-20-4-2-1-3-5-20)26-12-10-24-8-6-23-7-9-25-11-13-26/h1-5,21,23-25,28-29H,6-19H2