3-phenyl-4-[4-[2-(pyrimidin-2-ylamino)ethoxy]phenyl]butanoic acid

Systemtic Name: 3-phenyl-4-[4-[2-(pyrimidin-2-ylamino)ethoxy]phenyl]butanoic acid Openeye Name: 3-phenyl-4-[4-[2-(pyrimidin-2-ylamino)ethoxy]phenyl]butanoic acid CAS Name: 3-phenyl-4-[4-[2-(2-pyrimidinylamino)ethoxy]phenyl]butanoic acid IUPAC Name: 3-phenyl-4-[4-[2-(pyrimidin-2-ylamino)ethoxy]phenyl]butanoic acid Traditional Name: 3-phenyl-4-[4-[2-(2-pyrimidylamino)ethoxy]phenyl]butyric acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)OCCNC3=NC=CC=N3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=CC=C(C=C2)OCCNC3=NC=CC=N3)CC(=O)O

InChI

InChI=1S/C22H23N3O3/c26-21(27)16-19(18-5-2-1-3-6-18)15-17-7-9-20(10-8-17)28-14-13-25-22-23-11-4-12-24-22/h1-12,19H,13-16H2,(H,26,27)(H,23,24,25)