tert-butyl 2-[4-[(3-butyl-5-oxidanylidene-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoate

Systemtic Name: tert-butyl 2-[4-[(3-butyl-5-oxidanylidene-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoate Openeye Name: tert-butyl 2-[4-[(3-butyl-5-oxo-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(3-butyl-5-oxo-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(3-butyl-5-oxo-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(3-butyl-5-keto-6-phenethyl-1,2,4-oxadiazin-4-yl)methyl]phenyl]benzoic acid tert-butyl ester Formula: C33H38N2O4 MolecularWeight: 526.66582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NOC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)CCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NOC(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC(C)(C)C)CCC4=CC=CC=C4

InChI

InChI=1S/C33H38N2O4/c1-5-6-16-30-34-39-29(22-19-24-12-8-7-9-13-24)31(36)35(30)23-25-17-20-26(21-18-25)27-14-10-11-15-28(27)32(37)38-33(2,3)4/h7-15,17-18,20-21,29H,5-6,16,19,22-23H2,1-4H3