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

Systemtic Name: (phenylmethyl) N-(2-chloroethyl)-N-[3-(phenylmethoxycarbonylamino)propyl]carbamate Openeye Name: benzyl N-[3-(benzyloxycarbonylamino)propyl]-N-(2-chloroethyl)carbamate CAS Name: N-(2-chloroethyl)-N-[3-(phenylmethoxycarbonylamino)propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2-chloroethyl)-N-[3-(phenylmethoxycarbonylamino)propyl]carbamate Traditional Name: N-[3-(benzyloxycarbonylamino)propyl]-N-(2-chloroethyl)carbamic acid benzyl ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCN(CCCl)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCN(CCCl)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H25ClN2O4/c22-12-15-24(21(26)28-17-19-10-5-2-6-11-19)14-7-13-23-20(25)27-16-18-8-3-1-4-9-18/h1-6,8-11H,7,12-17H2,(H,23,25)