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

Systemtic Name: 3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(4-phenyl-1-piperazinyl)ethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(4-phenylpiperazino)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCOC2=C(C=CC(=C2)CN3C=CC=N3)CCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3/c30-25(31)10-9-22-8-7-21(20-29-12-4-11-26-29)19-24(22)32-18-17-27-13-15-28(16-14-27)23-5-2-1-3-6-23/h1-8,11-12,19H,9-10,13-18,20H2,(H,30,31)