3-[3-decoxy-6-[2-(4-methoxycarbonylphenyl)ethynyl]pyridin-2-yl]propanoic acid

Systemtic Name: 3-[3-decoxy-6-[2-(4-methoxycarbonylphenyl)ethynyl]pyridin-2-yl]propanoic acid Openeye Name: 3-[3-decoxy-6-[2-(4-methoxycarbonylphenyl)ethynyl]-2-pyridyl]propanoic acid CAS Name: 3-[3-decoxy-6-[2-(4-methoxycarbonylphenyl)ethynyl]-2-pyridinyl]propanoic acid IUPAC Name: 3-[3-decoxy-6-[2-(4-methoxycarbonylphenyl)ethynyl]pyridin-2-yl]propanoic acid Traditional Name: 3-[6-[2-(4-carbomethoxyphenyl)ethynyl]-3-decoxy-2-pyridyl]propionic acid Formula: C28H35NO5 MolecularWeight: 465.5812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(N=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(N=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC)CCC(=O)O

InChI

InChI=1S/C28H35NO5/c1-3-4-5-6-7-8-9-10-21-34-26-19-17-24(29-25(26)18-20-27(30)31)16-13-22-11-14-23(15-12-22)28(32)33-2/h11-12,14-15,17,19H,3-10,18,20-21H2,1-2H3,(H,30,31)