2-[4-[[(E)-3-(3-octylthiophen-2-yl)prop-2-enyl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[(E)-3-(3-octylthiophen-2-yl)prop-2-enyl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[(E)-3-(3-octyl-2-thienyl)allyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[(E)-3-(3-octyl-2-thiophenyl)prop-2-enyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[(E)-3-(3-octylthiophen-2-yl)prop-2-enyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[(E)-3-(3-octyl-2-thienyl)allyl]amino]phenyl]acetic acid Formula: C23H31NO2S MolecularWeight: 385.56274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(SC=C1)C=CCNC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CCCCCCCCC1=C(SC=C1)/C=C/CNC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C23H31NO2S/c1-2-3-4-5-6-7-9-20-15-17-27-22(20)10-8-16-24-21-13-11-19(12-14-21)18-23(25)26/h8,10-15,17,24H,2-7,9,16,18H2,1H3,(H,25,26)/b10-8+