3-[[4-[(2-ethyl-4-phenyl-phenyl)sulfanylmethyl]phenyl]methylamino]propanoic acid

Systemtic Name: 3-[[4-[(2-ethyl-4-phenyl-phenyl)sulfanylmethyl]phenyl]methylamino]propanoic acid Openeye Name: 3-[[4-[(2-ethyl-4-phenyl-phenyl)sulfanylmethyl]phenyl]methylamino]propanoic acid CAS Name: 3-[[4-[[(2-ethyl-4-phenylphenyl)thio]methyl]phenyl]methylamino]propanoic acid IUPAC Name: 3-[[4-[(2-ethyl-4-phenylphenyl)sulfanylmethyl]phenyl]methylamino]propanoic acid Traditional Name: 3-[[4-[[(2-ethyl-4-phenyl-phenyl)thio]methyl]benzyl]amino]propionic acid Formula: C25H27NO2S MolecularWeight: 405.55238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)CNCCC(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)C2=CC=CC=C2)SCC3=CC=C(C=C3)CNCCC(=O)O

InChI

InChI=1S/C25H27NO2S/c1-2-21-16-23(22-6-4-3-5-7-22)12-13-24(21)29-18-20-10-8-19(9-11-20)17-26-15-14-25(27)28/h3-13,16,26H,2,14-15,17-18H2,1H3,(H,27,28)