(E)-3-[4-[2-(5-octylthiophen-2-yl)ethylamino]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[2-(5-octylthiophen-2-yl)ethylamino]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[2-(5-octyl-2-thienyl)ethylamino]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[2-(5-octyl-2-thiophenyl)ethylamino]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[2-(5-octylthiophen-2-yl)ethylamino]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[2-(5-octyl-2-thienyl)ethylamino]phenyl]acrylic acid Formula: C23H31NO2S MolecularWeight: 385.56274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(S1)CCNC2=CC=C(C=C2)C=CC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(S1)CCNC2=CC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C23H31NO2S/c1-2-3-4-5-6-7-8-21-14-15-22(27-21)17-18-24-20-12-9-19(10-13-20)11-16-23(25)26/h9-16,24H,2-8,17-18H2,1H3,(H,25,26)/b16-11+