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

Systemtic Name: 2-[4-[(3-butyl-6,6-dimethyl-5-oxidanylidene-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-butyl-6,6-dimethyl-5-oxo-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-butyl-6,6-dimethyl-5-oxo-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butyl-6,6-dimethyl-5-oxo-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyl-5-keto-6,6-dimethyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-4-5-10-20-24-29-23(2,3)22(28)25(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)21(26)27/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,26,27)