2-[3-[[(4-phenethylsulfanylphenyl)methylamino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-phenethylsulfanylphenyl)methylamino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-phenethylsulfanylphenyl)methylamino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[[4-(phenethylthio)phenyl]methylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-phenethylsulfanylphenyl)methylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[[4-(phenethylthio)benzyl]amino]methyl]phenyl]acetic acid Formula: C24H25NO2S MolecularWeight: 391.5258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=CC=C(C=C2)CNCC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=CC=C(C=C2)CNCC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C24H25NO2S/c26-24(27)16-21-7-4-8-22(15-21)18-25-17-20-9-11-23(12-10-20)28-14-13-19-5-2-1-3-6-19/h1-12,15,25H,13-14,16-18H2,(H,26,27)