3-[2-(2-oxidanylidene-2-phenylazanyl-ethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(2-oxidanylidene-2-phenylazanyl-ethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-(2-anilino-2-oxo-ethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-(2-anilino-2-oxoethoxy)-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(2-anilino-2-oxoethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-(2-anilino-2-keto-ethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O

InChI

InChI=1S/C21H21N3O4/c25-20(23-18-5-2-1-3-6-18)15-28-19-13-16(14-24-12-4-11-22-24)7-8-17(19)9-10-21(26)27/h1-8,11-13H,9-10,14-15H2,(H,23,25)(H,26,27)