2-[4-[3-(3-octan-4-ylthiophen-2-yl)propylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-(3-octan-4-ylthiophen-2-yl)propylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[3-[3-(1-propylpentyl)-2-thienyl]propylamino]phenyl]acetic acid CAS Name: 2-[4-[3-(3-octan-4-yl-2-thiophenyl)propylamino]phenyl]acetic acid IUPAC Name: 2-[4-[3-(3-octan-4-ylthiophen-2-yl)propylamino]phenyl]acetic acid Traditional Name: 2-[4-[3-[3-(1-propylpentyl)-2-thienyl]propylamino]phenyl]acetic acid Formula: C23H33NO2S MolecularWeight: 387.57862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C1=C(SC=C1)CCCNC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CCCCC(CCC)C1=C(SC=C1)CCCNC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C23H33NO2S/c1-3-5-8-19(7-4-2)21-14-16-27-22(21)9-6-15-24-20-12-10-18(11-13-20)17-23(25)26/h10-14,16,19,24H,3-9,15,17H2,1-2H3,(H,25,26)