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

Systemtic Name: 3-phenyl-4-[4-[2-(pyridin-2-ylamino)ethylcarbamoyl]-1,3-oxazol-2-yl]butanoic acid Openeye Name: 3-phenyl-4-[4-[2-(2-pyridylamino)ethylcarbamoyl]oxazol-2-yl]butanoic acid CAS Name: 4-[4-[oxo-[2-(2-pyridinylamino)ethylamino]methyl]-2-oxazolyl]-3-phenylbutanoic acid IUPAC Name: 3-phenyl-4-[4-[2-(pyridin-2-ylamino)ethylcarbamoyl]-1,3-oxazol-2-yl]butanoic acid Traditional Name: 3-phenyl-4-[4-[2-(2-pyridylamino)ethylcarbamoyl]oxazol-2-yl]butyric acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=NC(=CO2)C(=O)NCCNC3=CC=CC=N3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=NC(=CO2)C(=O)NCCNC3=CC=CC=N3)CC(=O)O

InChI

InChI=1S/C21H22N4O4/c26-20(27)13-16(15-6-2-1-3-7-15)12-19-25-17(14-29-19)21(28)24-11-10-23-18-8-4-5-9-22-18/h1-9,14,16H,10-13H2,(H,22,23)(H,24,28)(H,26,27)