3-[4-[(5-octylthiophen-2-yl)methylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[(5-octylthiophen-2-yl)methylamino]phenyl]propanoic acid Openeye Name: 3-[4-[(5-octyl-2-thienyl)methylamino]phenyl]propanoic acid CAS Name: 3-[4-[(5-octyl-2-thiophenyl)methylamino]phenyl]propanoic acid IUPAC Name: 3-[4-[(5-octylthiophen-2-yl)methylamino]phenyl]propanoic acid Traditional Name: 3-[4-[(5-octyl-2-thienyl)methylamino]phenyl]propionic acid Formula: C22H31NO2S MolecularWeight: 373.55204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(S1)CNC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(S1)CNC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C22H31NO2S/c1-2-3-4-5-6-7-8-20-14-15-21(26-20)17-23-19-12-9-18(10-13-19)11-16-22(24)25/h9-10,12-15,23H,2-8,11,16-17H2,1H3,(H,24,25)