3-phenyl-4-[4-[4-(pyridin-2-ylamino)butylcarbamoyl]-1,3-oxazol-2-yl]butanoate

Systemtic Name: 3-phenyl-4-[4-[4-(pyridin-2-ylamino)butylcarbamoyl]-1,3-oxazol-2-yl]butanoate Openeye Name: 3-phenyl-4-[4-[4-(2-pyridylamino)butylcarbamoyl]oxazol-2-yl]butanoate CAS Name: 4-[4-[oxo-[4-(2-pyridinylamino)butylamino]methyl]-2-oxazolyl]-3-phenylbutanoate IUPAC Name: 3-phenyl-4-[4-[4-(pyridin-2-ylamino)butylcarbamoyl]-1,3-oxazol-2-yl]butanoate Traditional Name: 3-phenyl-4-[4-[4-(2-pyridylamino)butylcarbamoyl]oxazol-2-yl]butyrate Formula: C23H25N4O4- MolecularWeight: 421.469

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=NC(=CO2)C(=O)NCCCCNC3=CC=CC=N3)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=NC(=CO2)C(=O)NCCCCNC3=CC=CC=N3)CC(=O)[O-]

InChI

InChI=1S/C23H26N4O4/c28-22(29)15-18(17-8-2-1-3-9-17)14-21-27-19(16-31-21)23(30)26-13-7-6-12-25-20-10-4-5-11-24-20/h1-5,8-11,16,18H,6-7,12-15H2,(H,24,25)(H,26,30)(H,28,29)/p-1