2-ethoxy-3-[4-[5-[heptylcarbamoyl(methyl)amino]-2-methyl-1,2,4-triazol-3-yl]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[5-[heptylcarbamoyl(methyl)amino]-2-methyl-1,2,4-triazol-3-yl]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[5-[heptylcarbamoyl(methyl)amino]-2-methyl-1,2,4-triazol-3-yl]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[5-[[(heptylamino)-oxomethyl]-methylamino]-2-methyl-1,2,4-triazol-3-yl]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[5-[heptylcarbamoyl(methyl)amino]-2-methyl-1,2,4-triazol-3-yl]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[5-[heptylcarbamoyl(methyl)amino]-2-methyl-1,2,4-triazol-3-yl]phenyl]propionic acid Formula: C23H35N5O4 MolecularWeight: 445.5551

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=O)N(C)C1=NN(C(=N1)C2=CC=C(C=C2)CC(C(=O)O)OCC)C

Isomeric SMILES

CCCCCCCNC(=O)N(C)C1=NN(C(=N1)C2=CC=C(C=C2)CC(C(=O)O)OCC)C

InChI

InChI=1S/C23H35N5O4/c1-5-7-8-9-10-15-24-23(31)27(3)22-25-20(28(4)26-22)18-13-11-17(12-14-18)16-19(21(29)30)32-6-2/h11-14,19H,5-10,15-16H2,1-4H3,(H,24,31)(H,29,30)