(phenylmethyl) 4-(3-chloranylphenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (phenylmethyl) 4-(3-chloranylphenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: benzyl 2-(tert-butoxycarbonylamino)-4-(3-chlorophenoxy)butanoate CAS Name: 4-(3-chlorophenoxy)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-chlorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 2-(tert-butoxycarbonylamino)-4-(3-chlorophenoxy)butyric acid benzyl ester Formula: C22H26ClNO5 MolecularWeight: 419.89854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCOC1=CC(=CC=C1)Cl)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCOC1=CC(=CC=C1)Cl)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26ClNO5/c1-22(2,3)29-21(26)24-19(12-13-27-18-11-7-10-17(23)14-18)20(25)28-15-16-8-5-4-6-9-16/h4-11,14,19H,12-13,15H2,1-3H3,(H,24,26)