(phenylmethyl) 3-[bis(2-chloranylpropyl)carbamoyloxy]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (phenylmethyl) 3-[bis(2-chloranylpropyl)carbamoyloxy]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-3-[bis(2-chloropropyl)carbamoyloxy]propanoate CAS Name: 3-[[bis(2-chloropropyl)amino]-oxomethoxy]-2-(phenylmethoxycarbonylamino)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[bis(2-chloropropyl)carbamoyloxy]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-[bis(2-chloropropyl)carbamoyloxy]propionic acid benzyl ester Formula: C25H30Cl2N2O6 MolecularWeight: 525.4215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC(C)Cl)C(=O)OCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)Cl

Isomeric SMILES

CC(CN(CC(C)Cl)C(=O)OCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)Cl

InChI

InChI=1S/C25H30Cl2N2O6/c1-18(26)13-29(14-19(2)27)25(32)35-17-22(23(30)33-15-20-9-5-3-6-10-20)28-24(31)34-16-21-11-7-4-8-12-21/h3-12,18-19,22H,13-17H2,1-2H3,(H,28,31)