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

Systemtic Name: 2-[4-[(3-butyl-5-oxidanylidene-6-phenyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-butyl-5-oxo-6-phenyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-butyl-5-oxo-6-phenyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butyl-5-oxo-6-phenyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyl-5-keto-6-phenyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid Formula: C27H26N2O4 MolecularWeight: 442.50634

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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)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NOC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4/c1-2-3-13-24-28-33-25(21-9-5-4-6-10-21)26(30)29(24)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)27(31)32/h4-12,14-17,25H,2-3,13,18H2,1H3,(H,31,32)