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

Systemtic Name: 2-ethylhexyl 4-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1,4-diazepane-1-carboxylate Openeye Name: 2-ethylhexyl 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-ethylhexyl ester IUPAC Name: 2-ethylhexyl 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-ethylhexyl ester Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)COC(=O)N1CCCN(CC1)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H36N2O4/c1-3-5-10-20(4-2)18-29-23(27)25-14-9-13-24(15-16-25)17-22(26)28-19-21-11-7-6-8-12-21/h6-8,11-12,20H,3-5,9-10,13-19H2,1-2H3