3-[2-(2-naphthalen-2-ylethoxy)-4-(3-pyrazol-1-ylpropyl)phenyl]propanoic acid

Systemtic Name: 3-[2-(2-naphthalen-2-ylethoxy)-4-(3-pyrazol-1-ylpropyl)phenyl]propanoic acid Openeye Name: 3-[2-[2-(2-naphthyl)ethoxy]-4-(3-pyrazol-1-ylpropyl)phenyl]propanoic acid CAS Name: 3-[2-[2-(2-naphthalenyl)ethoxy]-4-[3-(1-pyrazolyl)propyl]phenyl]propanoic acid IUPAC Name: 3-[2-(2-naphthalen-2-ylethoxy)-4-(3-pyrazol-1-ylpropyl)phenyl]propanoic acid Traditional Name: 3-[2-[2-(2-naphthyl)ethoxy]-4-(3-pyrazol-1-ylpropyl)phenyl]propionic acid Formula: C27H28N2O3 MolecularWeight: 428.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CCCN4C=CC=N4)CCC(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCOC3=C(C=CC(=C3)CCCN4C=CC=N4)CCC(=O)O

InChI

InChI=1S/C27H28N2O3/c30-27(31)13-12-24-11-9-21(5-3-16-29-17-4-15-28-29)20-26(24)32-18-14-22-8-10-23-6-1-2-7-25(23)19-22/h1-2,4,6-11,15,17,19-20H,3,5,12-14,16,18H2,(H,30,31)