2-[[3-(4-tert-butylphenyl)sulfanyl-3-phenyl-propyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3-(4-tert-butylphenyl)sulfanyl-3-phenyl-propyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[3-(4-tert-butylphenyl)sulfanyl-3-phenyl-propyl]-methyl-amino]acetic acid CAS Name: 2-[[3-[(4-tert-butylphenyl)thio]-3-phenylpropyl]-methylamino]acetic acid IUPAC Name: 2-[[3-(4-tert-butylphenyl)sulfanyl-3-phenylpropyl]-methylamino]acetic acid Traditional Name: 2-[[3-[(4-tert-butylphenyl)thio]-3-phenyl-propyl]-methyl-amino]acetic acid Formula: C22H29NO2S MolecularWeight: 371.53616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC(CCN(C)CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC(CCN(C)CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C22H29NO2S/c1-22(2,3)18-10-12-19(13-11-18)26-20(17-8-6-5-7-9-17)14-15-23(4)16-21(24)25/h5-13,20H,14-16H2,1-4H3,(H,24,25)