3-(3-acetamido-4-acetyloxy-phenyl)-2-[(2-chlorophenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(3-acetamido-4-acetyloxy-phenyl)-2-[(2-chlorophenyl)carbonylamino]propanoic acid Openeye Name: 3-(3-acetamido-4-acetoxy-phenyl)-2-[(2-chlorobenzoyl)amino]propanoic acid CAS Name: 3-(3-acetamido-4-acetyloxyphenyl)-2-[[(2-chlorophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(3-acetamido-4-acetyloxyphenyl)-2-[(2-chlorobenzoyl)amino]propanoic acid Traditional Name: 3-(3-acetamido-4-acetoxy-phenyl)-2-[(2-chlorobenzoyl)amino]propionic acid Formula: C20H19ClN2O6 MolecularWeight: 418.82766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2Cl)OC(=O)C

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2Cl)OC(=O)C

InChI

InChI=1S/C20H19ClN2O6/c1-11(24)22-16-9-13(7-8-18(16)29-12(2)25)10-17(20(27)28)23-19(26)14-5-3-4-6-15(14)21/h3-9,17H,10H2,1-2H3,(H,22,24)(H,23,26)(H,27,28)