(4-propan-2-ylphenyl)methyl (2S)-2-[(2,4-dichlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-propan-2-ylphenyl)methyl (2S)-2-[(2,4-dichlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-isopropylphenyl)methyl (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methyl-butyric acid (4-isopropylbenzyl) ester Formula: C22H25Cl2NO3 MolecularWeight: 422.3448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)C(C(C)C)NC(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)[C@H](C(C)C)NC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C22H25Cl2NO3/c1-13(2)16-7-5-15(6-8-16)12-28-22(27)20(14(3)4)25-21(26)18-10-9-17(23)11-19(18)24/h5-11,13-14,20H,12H2,1-4H3,(H,25,26)/t20-/m0/s1