(phenylmethyl) 2-oxidanylidene-4-[3-(phenylmethoxycarbonylamino)propyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-oxidanylidene-4-[3-(phenylmethoxycarbonylamino)propyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[3-(benzyloxycarbonylamino)propyl]-2-oxo-1,4-diazepane-1-carboxylate CAS Name: 2-oxo-4-[3-(phenylmethoxycarbonylamino)propyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-oxo-4-[3-(phenylmethoxycarbonylamino)propyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-(benzyloxycarbonylamino)propyl]-2-keto-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N(C1)C(=O)OCC2=CC=CC=C2)CCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC(=O)N(C1)C(=O)OCC2=CC=CC=C2)CCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O5/c28-22-17-26(14-7-13-25-23(29)31-18-20-9-3-1-4-10-20)15-8-16-27(22)24(30)32-19-21-11-5-2-6-12-21/h1-6,9-12H,7-8,13-19H2,(H,25,29)