[1-[[3,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: [1-[[3,5-bis(chloranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(3,5-dichloroanilino)-1-methyl-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,5-dichloroanilino)-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [2-(3,5-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20Cl2N2O4 MolecularWeight: 423.2898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OC(C)C(=O)NC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)OC(C)C(=O)NC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C20H20Cl2N2O4/c1-11-5-4-6-14(7-11)19(26)23-12(2)20(27)28-13(3)18(25)24-17-9-15(21)8-16(22)10-17/h4-10,12-13H,1-3H3,(H,23,26)(H,24,25)/t12-,13?/m0/s1