5-(3-methyl-7-oxidanylidene-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-6-yl)pentanoic acid

Systemtic Name: 5-(3-methyl-7-oxidanylidene-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-6-yl)pentanoic acid Openeye Name: 5-(3-methyl-7-oxo-4-phenyl-isoxazolo[3,4-d]pyridazin-6-yl)pentanoic acid CAS Name: 5-(3-methyl-7-oxo-4-phenyl-6-isoxazolo[3,4-d]pyridazinyl)pentanoic acid IUPAC Name: 5-(3-methyl-7-oxo-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-6-yl)pentanoic acid Traditional Name: 5-(7-keto-3-methyl-4-phenyl-isoxazolo[3,4-d]pyridazin-6-yl)valeric acid Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C(=O)C2=NO1)CCCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=NN(C(=O)C2=NO1)CCCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3O4/c1-11-14-15(12-7-3-2-4-8-12)18-20(10-6-5-9-13(21)22)17(23)16(14)19-24-11/h2-4,7-8H,5-6,9-10H2,1H3,(H,21,22)