(2R)-2-(carboxycarbonylamino)-3-[4-(2-phenylbutanoyloxy)phenyl]propanoic acid

Systemtic Name: (2R)-2-(carboxycarbonylamino)-3-[4-(2-phenylbutanoyloxy)phenyl]propanoic acid Openeye Name: (2R)-2-(oxaloamino)-3-[4-(2-phenylbutanoyloxy)phenyl]propanoic acid CAS Name: (2R)-2-(oxaloamino)-3-[4-(1-oxo-2-phenylbutoxy)phenyl]propanoic acid IUPAC Name: (2R)-2-(oxaloamino)-3-[4-(2-phenylbutanoyloxy)phenyl]propanoic acid Traditional Name: (2R)-2-(oxaloamino)-3-[4-(2-phenylbutanoyloxy)phenyl]propionic acid Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)C[C@H](C(=O)O)NC(=O)C(=O)O

InChI

InChI=1S/C21H21NO7/c1-2-16(14-6-4-3-5-7-14)21(28)29-15-10-8-13(9-11-15)12-17(19(24)25)22-18(23)20(26)27/h3-11,16-17H,2,12H2,1H3,(H,22,23)(H,24,25)(H,26,27)/t16?,17-/m1/s1