2-ethoxy-3-[5-[3-[heptylcarbamoyl(methyl)amino]phenyl]thiophen-2-yl]propanoic acid

Systemtic Name: 2-ethoxy-3-[5-[3-[heptylcarbamoyl(methyl)amino]phenyl]thiophen-2-yl]propanoic acid Openeye Name: 2-ethoxy-3-[5-[3-[heptylcarbamoyl(methyl)amino]phenyl]-2-thienyl]propanoic acid CAS Name: 2-ethoxy-3-[5-[3-[[(heptylamino)-oxomethyl]-methylamino]phenyl]-2-thiophenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[5-[3-[heptylcarbamoyl(methyl)amino]phenyl]thiophen-2-yl]propanoic acid Traditional Name: 2-ethoxy-3-[5-[3-[heptylcarbamoyl(methyl)amino]phenyl]-2-thienyl]propionic acid Formula: C24H34N2O4S MolecularWeight: 446.60276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O4S/c1-4-6-7-8-9-15-25-24(29)26(3)19-12-10-11-18(16-19)22-14-13-20(31-22)17-21(23(27)28)30-5-2/h10-14,16,21H,4-9,15,17H2,1-3H3,(H,25,29)(H,27,28)