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

Systemtic Name: 3-[2-[2-(diphenylamino)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(N-phenylanilino)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(N-phenylanilino)ethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[2-(N-phenylanilino)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(N-phenylanilino)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N(CCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c31-27(32)15-14-23-13-12-22(21-29-17-7-16-28-29)20-26(23)33-19-18-30(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-13,16-17,20H,14-15,18-19,21H2,(H,31,32)