methyl 4-chloranyl-3-[[(2S)-2-(2,2-diphenylethanoylamino)propanoyl]amino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[(2S)-2-(2,2-diphenylethanoylamino)propanoyl]amino]benzoate Openeye Name: methyl 4-chloro-3-[[(2S)-2-[(2,2-diphenylacetyl)amino]propanoyl]amino]benzoate CAS Name: 4-chloro-3-[[(2S)-1-oxo-2-[(1-oxo-2,2-diphenylethyl)amino]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[(2S)-2-[(2,2-diphenylacetyl)amino]propanoyl]amino]benzoate Traditional Name: 4-chloro-3-[[(2S)-2-[(2,2-diphenylacetyl)amino]propanoyl]amino]benzoic acid methyl ester Formula: C25H23ClN2O4 MolecularWeight: 450.91412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H23ClN2O4/c1-16(23(29)28-21-15-19(25(31)32-2)13-14-20(21)26)27-24(30)22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,22H,1-2H3,(H,27,30)(H,28,29)/t16-/m0/s1