(2-chlorophenyl)methyl 4-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1,4-diazepane-1-carboxylate

Systemtic Name: (2-chlorophenyl)methyl 4-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1,4-diazepane-1-carboxylate Openeye Name: (2-chlorophenyl)methyl 4-(2-benzyloxy-2-oxo-ethyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepane-1-carboxylic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(2-benzoxy-2-keto-ethyl)-1,4-diazepane-1-carboxylic acid (2-chlorobenzyl) ester Formula: C22H25ClN2O4 MolecularWeight: 416.8979

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2Cl)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2Cl)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O4/c23-20-10-5-4-9-19(20)17-29-22(27)25-12-6-11-24(13-14-25)15-21(26)28-16-18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2