3-[2-(2-benzamidoethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(2-benzamidoethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-(2-benzamidoethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-(2-benzamidoethoxy)-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(2-benzamidoethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-(2-benzamidoethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

InChI

InChI=1S/C22H23N3O4/c26-21(27)10-9-18-8-7-17(16-25-13-4-11-24-25)15-20(18)29-14-12-23-22(28)19-5-2-1-3-6-19/h1-8,11,13,15H,9-10,12,14,16H2,(H,23,28)(H,26,27)