3-methyl-3-pyridin-3-yl-4-[3-[4-(pyridin-2-ylamino)butyl]-1,2,4-oxadiazol-5-yl]butanoic acid

Systemtic Name: 3-methyl-3-pyridin-3-yl-4-[3-[4-(pyridin-2-ylamino)butyl]-1,2,4-oxadiazol-5-yl]butanoic acid Openeye Name: 3-methyl-3-(3-pyridyl)-4-[3-[4-(2-pyridylamino)butyl]-1,2,4-oxadiazol-5-yl]butanoic acid CAS Name: 3-methyl-3-(3-pyridinyl)-4-[3-[4-(2-pyridinylamino)butyl]-1,2,4-oxadiazol-5-yl]butanoic acid IUPAC Name: 3-methyl-3-pyridin-3-yl-4-[3-[4-(pyridin-2-ylamino)butyl]-1,2,4-oxadiazol-5-yl]butanoic acid Traditional Name: 3-methyl-3-(3-pyridyl)-4-[3-[4-(2-pyridylamino)butyl]-1,2,4-oxadiazol-5-yl]butyric acid Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC(=NO1)CCCCNC2=CC=CC=N2)(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

CC(CC1=NC(=NO1)CCCCNC2=CC=CC=N2)(CC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C21H25N5O3/c1-21(14-20(27)28,16-7-6-10-22-15-16)13-19-25-18(26-29-19)9-3-5-12-24-17-8-2-4-11-23-17/h2,4,6-8,10-11,15H,3,5,9,12-14H2,1H3,(H,23,24)(H,27,28)