2-ethoxy-3-[4-[4-[heptylcarbamoyl(methyl)amino]thiophen-2-yl]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[4-[heptylcarbamoyl(methyl)amino]thiophen-2-yl]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[4-[heptylcarbamoyl(methyl)amino]-2-thienyl]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[4-[[(heptylamino)-oxomethyl]-methylamino]-2-thiophenyl]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[4-[heptylcarbamoyl(methyl)amino]thiophen-2-yl]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[4-[heptylcarbamoyl(methyl)amino]-2-thienyl]phenyl]propionic acid Formula: C24H34N2O4S MolecularWeight: 446.60276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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