methyl (2S)-3-[4-(2-methanoylphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-3-[4-(2-methanoylphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(2-formylphenoxy)phenyl]propanoate CAS Name: (2S)-3-[4-(2-formylphenoxy)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-(2-formylphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[4-(2-formylphenoxy)phenyl]propionic acid methyl ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC2=CC=CC=C2C=O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC2=CC=CC=C2C=O)C(=O)OC

InChI

InChI=1S/C22H25NO6/c1-22(2,3)29-21(26)23-18(20(25)27-4)13-15-9-11-17(12-10-15)28-19-8-6-5-7-16(19)14-24/h5-12,14,18H,13H2,1-4H3,(H,23,26)/t18-/m0/s1