3-[5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazol-5-yl]-6-oxidanylidene-heptanoic acid

Systemtic Name: 3-[5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazol-5-yl]-6-oxidanylidene-heptanoic acid Openeye Name: 3-[5-methyl-3-(2,4,6-trimethylphenyl)-4H-isoxazol-5-yl]-6-oxo-heptanoic acid CAS Name: 3-[5-methyl-3-(2,4,6-trimethylphenyl)-4H-isoxazol-5-yl]-6-oxoheptanoic acid IUPAC Name: 3-[5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazol-5-yl]-6-oxoheptanoic acid Traditional Name: 6-keto-3-(3-mesityl-5-methyl-2-isoxazolin-5-yl)enanthic acid Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NOC(C2)(C)C(CCC(=O)C)CC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NOC(C2)(C)C(CCC(=O)C)CC(=O)O)C

InChI

InChI=1S/C20H27NO4/c1-12-8-13(2)19(14(3)9-12)17-11-20(5,25-21-17)16(10-18(23)24)7-6-15(4)22/h8-9,16H,6-7,10-11H2,1-5H3,(H,23,24)