(4-chlorophenyl) 4-[(1-chloranyl-2-methyl-propoxy)carbonylamino]-2-(phenylmethyl)butanoate

Systemtic Name: (4-chlorophenyl) 4-[(1-chloranyl-2-methyl-propoxy)carbonylamino]-2-(phenylmethyl)butanoate Openeye Name: (4-chlorophenyl) 2-benzyl-4-[(1-chloro-2-methyl-propoxy)carbonylamino]butanoate CAS Name: 4-[[(1-chloro-2-methylpropoxy)-oxomethyl]amino]-2-(phenylmethyl)butanoic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 2-benzyl-4-[(1-chloro-2-methylpropoxy)carbonylamino]butanoate Traditional Name: 2-benzyl-4-[(1-chloro-2-methyl-propoxy)carbonylamino]butyric acid (4-chlorophenyl) ester Formula: C22H25Cl2NO4 MolecularWeight: 438.3442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(OC(=O)NCCC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)C(OC(=O)NCCC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C22H25Cl2NO4/c1-15(2)20(24)29-22(27)25-13-12-17(14-16-6-4-3-5-7-16)21(26)28-19-10-8-18(23)9-11-19/h3-11,15,17,20H,12-14H2,1-2H3,(H,25,27)