(phenylmethyl) 4-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(5-oxidanylidenepyrrolidin-2-yl)carbonyl-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepane-1-carboxylate CAS Name: 4-[oxo-(5-oxo-2-pyrrolidinyl)methyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-pyroglutamoyl-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)C3CCC(=O)N3

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)C3CCC(=O)N3

InChI

InChI=1S/C18H23N3O4/c22-16-8-7-15(19-16)17(23)20-9-4-10-21(12-11-20)18(24)25-13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,19,22)