[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]propanoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]propanoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]propionic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC=C(C=C1)C(C)(C)C)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C22H24ClNO4/c1-14(24-20(26)17-7-5-6-8-18(17)23)21(27)28-13-19(25)15-9-11-16(12-10-15)22(2,3)4/h5-12,14H,13H2,1-4H3,(H,24,26)/t14-/m0/s1