3-phenyl-4-[4-[3-(pyridin-2-ylamino)propylcarbamoyl]-1,3-oxazol-2-yl]butanoic acid

Systemtic Name: 3-phenyl-4-[4-[3-(pyridin-2-ylamino)propylcarbamoyl]-1,3-oxazol-2-yl]butanoic acid Openeye Name: 3-phenyl-4-[4-[3-(2-pyridylamino)propylcarbamoyl]oxazol-2-yl]butanoic acid CAS Name: 4-[4-[oxo-[3-(2-pyridinylamino)propylamino]methyl]-2-oxazolyl]-3-phenylbutanoic acid IUPAC Name: 3-phenyl-4-[4-[3-(pyridin-2-ylamino)propylcarbamoyl]-1,3-oxazol-2-yl]butanoic acid Traditional Name: 3-phenyl-4-[4-[3-(2-pyridylamino)propylcarbamoyl]oxazol-2-yl]butyric acid Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=NC(=CO2)C(=O)NCCCNC3=CC=CC=N3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=NC(=CO2)C(=O)NCCCNC3=CC=CC=N3)CC(=O)O

InChI

InChI=1S/C22H24N4O4/c27-21(28)14-17(16-7-2-1-3-8-16)13-20-26-18(15-30-20)22(29)25-12-6-11-24-19-9-4-5-10-23-19/h1-5,7-10,15,17H,6,11-14H2,(H,23,24)(H,25,29)(H,27,28)