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

Systemtic Name: 2-[4-[(5-octylthiophen-2-yl)methylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(5-octyl-2-thienyl)methylamino]phenyl]acetic acid CAS Name: 2-[4-[(5-octyl-2-thiophenyl)methylamino]phenyl]acetic acid IUPAC Name: 2-[4-[(5-octylthiophen-2-yl)methylamino]phenyl]acetic acid Traditional Name: 2-[4-[(5-octyl-2-thienyl)methylamino]phenyl]acetic acid Formula: C21H29NO2S MolecularWeight: 359.52546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2S/c1-2-3-4-5-6-7-8-19-13-14-20(25-19)16-22-18-11-9-17(10-12-18)15-21(23)24/h9-14,22H,2-8,15-16H2,1H3,(H,23,24)