(2S)-4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylammonio]-4-oxo-butanoate CAS Name: (2S)-4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(4-tert-butylphenyl)-2-[(4-chlorophenyl)methylazaniumyl]-4-oxobutanoate Traditional Name: (2S)-4-(4-tert-butylphenyl)-2-[(4-chlorobenzyl)ammonio]-4-keto-butyrate Formula: C21H24ClNO3 MolecularWeight: 373.87316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C(=O)[O-])[NH2+]CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[C@@H](C(=O)[O-])[NH2+]CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H24ClNO3/c1-21(2,3)16-8-6-15(7-9-16)19(24)12-18(20(25)26)23-13-14-4-10-17(22)11-5-14/h4-11,18,23H,12-13H2,1-3H3,(H,25,26)/t18-/m0/s1