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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C2=CC=C(C=C2)SCC3=CC=C(C=C3)CNCCC(=O)O

Isomeric SMILES

CCC1=CC=CC=C1C2=CC=C(C=C2)SCC3=CC=C(C=C3)CNCCC(=O)O

InChI

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