(2S)-2-[(4-tert-butylphenyl)methyl-methyl-azaniumyl]-2-phenyl-ethanoate

Systemtic Name: (2S)-2-[(4-tert-butylphenyl)methyl-methyl-azaniumyl]-2-phenyl-ethanoate Openeye Name: (2S)-2-[(4-tert-butylphenyl)methyl-methyl-ammonio]-2-phenyl-acetate CAS Name: (2S)-2-[(4-tert-butylphenyl)methyl-methylammonio]-2-phenylacetate IUPAC Name: (2S)-2-[(4-tert-butylphenyl)methyl-methylazaniumyl]-2-phenylacetate Traditional Name: (2S)-2-[(4-tert-butylbenzyl)-methyl-ammonio]-2-phenyl-acetate Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)C(C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)[C@@H](C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C20H25NO2/c1-20(2,3)17-12-10-15(11-13-17)14-21(4)18(19(22)23)16-8-6-5-7-9-16/h5-13,18H,14H2,1-4H3,(H,22,23)/t18-/m0/s1