2-ethoxy-2-[5-[4-[heptylcarbamoyl(methyl)amino]phenyl]thiophen-2-yl]ethanoic acid

Systemtic Name: 2-ethoxy-2-[5-[4-[heptylcarbamoyl(methyl)amino]phenyl]thiophen-2-yl]ethanoic acid Openeye Name: 2-ethoxy-2-[5-[4-[heptylcarbamoyl(methyl)amino]phenyl]-2-thienyl]acetic acid CAS Name: 2-ethoxy-2-[5-[4-[[(heptylamino)-oxomethyl]-methylamino]phenyl]-2-thiophenyl]acetic acid IUPAC Name: 2-ethoxy-2-[5-[4-[heptylcarbamoyl(methyl)amino]phenyl]thiophen-2-yl]acetic acid Traditional Name: 2-ethoxy-2-[5-[4-[heptylcarbamoyl(methyl)amino]phenyl]-2-thienyl]acetic acid Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=CC=C(C=C1)C2=CC=C(S2)C(C(=O)O)OCC

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=CC=C(C=C1)C2=CC=C(S2)C(C(=O)O)OCC

InChI

InChI=1S/C23H32N2O4S/c1-4-6-7-8-9-16-24-23(28)25(3)18-12-10-17(11-13-18)19-14-15-20(30-19)21(22(26)27)29-5-2/h10-15,21H,4-9,16H2,1-3H3,(H,24,28)(H,26,27)