2-[4-[(3-butyl-6-methyl-5-oxidanylidene-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(3-butyl-6-methyl-5-oxidanylidene-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-butyl-6-methyl-5-oxo-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-butyl-6-methyl-5-oxo-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butyl-6-methyl-5-oxo-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyl-5-keto-6-methyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCCCC1=NOC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C22H24N2O4/c1-3-4-9-20-23-28-15(2)21(25)24(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)22(26)27/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,26,27)