2-(phenylmethoxymethyl)-1-oxa-4,7,10-triazacyclododecane-3,11-dione

Systemtic Name: 2-(phenylmethoxymethyl)-1-oxa-4,7,10-triazacyclododecane-3,11-dione Openeye Name: 2-(benzyloxymethyl)-1-oxa-4,7,10-triazacyclododecane-3,11-dione CAS Name: 2-(phenylmethoxymethyl)-1-oxa-4,7,10-triazacyclododecane-3,11-dione IUPAC Name: 2-(phenylmethoxymethyl)-1-oxa-4,7,10-triazacyclododecane-3,11-dione Traditional Name: 2-(benzoxymethyl)-1-oxa-4,7,10-triazacyclododecane-3,11-quinone Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)COC(C(=O)NCCN1)COCC2=CC=CC=C2

Isomeric SMILES

C1CNC(=O)COC(C(=O)NCCN1)COCC2=CC=CC=C2

InChI

InChI=1S/C16H23N3O4/c20-15-12-23-14(11-22-10-13-4-2-1-3-5-13)16(21)19-9-7-17-6-8-18-15/h1-5,14,17H,6-12H2,(H,18,20)(H,19,21)