(phenylmethyl) N-(2-cyanoethyl)-N-[3-(phenylmethoxycarbonylamino)propyl]carbamate

Systemtic Name: (phenylmethyl) N-(2-cyanoethyl)-N-[3-(phenylmethoxycarbonylamino)propyl]carbamate Openeye Name: benzyl N-[3-(benzyloxycarbonylamino)propyl]-N-(2-cyanoethyl)carbamate CAS Name: N-(2-cyanoethyl)-N-[3-(phenylmethoxycarbonylamino)propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2-cyanoethyl)-N-[3-(phenylmethoxycarbonylamino)propyl]carbamate Traditional Name: N-[3-(benzyloxycarbonylamino)propyl]-N-(2-cyanoethyl)carbamic acid benzyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCN(CCC#N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCN(CCC#N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O4/c23-13-7-15-25(22(27)29-18-20-11-5-2-6-12-20)16-8-14-24-21(26)28-17-19-9-3-1-4-10-19/h1-6,9-12H,7-8,14-18H2,(H,24,26)