3-[(2-methoxyphenyl)methyl]-1,5,9-triazacyclododecane-2,4-dione

Systemtic Name: 3-[(2-methoxyphenyl)methyl]-1,5,9-triazacyclododecane-2,4-dione Openeye Name: 3-[(2-methoxyphenyl)methyl]-1,5,9-triazacyclododecane-2,4-dione CAS Name: 3-[(2-methoxyphenyl)methyl]-1,5,9-triazacyclododecane-2,4-dione IUPAC Name: 3-[(2-methoxyphenyl)methyl]-1,5,9-triazacyclododecane-2,4-dione Traditional Name: 3-o-anisyl-1,5,9-triazacyclododecane-2,4-quinone Formula: C17H25N3O3 MolecularWeight: 319.3987

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC2C(=O)NCCCNCCCNC2=O

Isomeric SMILES

COC1=CC=CC=C1CC2C(=O)NCCCNCCCNC2=O

InChI

InChI=1S/C17H25N3O3/c1-23-15-7-3-2-6-13(15)12-14-16(21)19-10-4-8-18-9-5-11-20-17(14)22/h2-3,6-7,14,18H,4-5,8-12H2,1H3,(H,19,21)(H,20,22)