2-[3-ethoxy-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrazol-4-yl]propanoic acid

Systemtic Name: 2-[3-ethoxy-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrazol-4-yl]propanoic acid Openeye Name: 2-[3-ethoxy-1-[[4-(3-pyridylmethoxy)phenyl]methyl]pyrazol-4-yl]propanoic acid CAS Name: 2-[3-ethoxy-1-[[4-(3-pyridinylmethoxy)phenyl]methyl]-4-pyrazolyl]propanoic acid IUPAC Name: 2-[3-ethoxy-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrazol-4-yl]propanoic acid Traditional Name: 2-[3-ethoxy-1-[4-(3-pyridylmethoxy)benzyl]pyrazol-4-yl]propionic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C=C1C(C)C(=O)O)CC2=CC=C(C=C2)OCC3=CN=CC=C3

Isomeric SMILES

CCOC1=NN(C=C1C(C)C(=O)O)CC2=CC=C(C=C2)OCC3=CN=CC=C3

InChI

InChI=1S/C21H23N3O4/c1-3-27-20-19(15(2)21(25)26)13-24(23-20)12-16-6-8-18(9-7-16)28-14-17-5-4-10-22-11-17/h4-11,13,15H,3,12,14H2,1-2H3,(H,25,26)