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

Systemtic Name: 2-[4-[[(6S)-3-butyl-5-oxidanylidene-6-phenethyl-1,2,4-oxadiazin-4-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[(6S)-3-butyl-5-oxo-6-phenethyl-1,2,4-oxadiazin-4-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[(6S)-3-butyl-5-oxo-6-phenethyl-1,2,4-oxadiazin-4-yl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[(6S)-3-butyl-5-oxo-6-phenethyl-1,2,4-oxadiazin-4-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[(6S)-3-butyl-5-keto-6-phenethyl-1,2,4-oxadiazin-4-yl]methyl]phenyl]benzoic acid Formula: C29H30N2O4 MolecularWeight: 470.5595

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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)CCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=NO[C@H](C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H30N2O4/c1-2-3-13-27-30-35-26(19-16-21-9-5-4-6-10-21)28(32)31(27)20-22-14-17-23(18-15-22)24-11-7-8-12-25(24)29(33)34/h4-12,14-15,17-18,26H,2-3,13,16,19-20H2,1H3,(H,33,34)/t26-/m0/s1