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

Systemtic Name: 3-[2-[2-(4-phenylpiperidin-1-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(4-phenyl-1-piperidyl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(4-phenyl-1-piperidinyl)ethoxy]-4-(1-pyrazolylmethyl)phenyl]propanoic acid IUPAC Name: 3-[2-[2-(4-phenylpiperidin-1-yl)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(4-phenylpiperidino)ethoxy]-4-(pyrazol-1-ylmethyl)phenyl]propionic acid Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)CCOC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)CCOC3=C(C=CC(=C3)CN4C=CC=N4)CCC(=O)O

InChI

InChI=1S/C26H31N3O3/c30-26(31)10-9-24-8-7-21(20-29-14-4-13-27-29)19-25(24)32-18-17-28-15-11-23(12-16-28)22-5-2-1-3-6-22/h1-8,13-14,19,23H,9-12,15-18,20H2,(H,30,31)