3-(2-chlorophenyl)-5-methyl-N-[4-(4-octylphenyl)phenyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chlorophenyl)-5-methyl-N-[4-(4-octylphenyl)phenyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-5-methyl-N-[4-(4-octylphenyl)phenyl]isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-5-methyl-N-[4-(4-octylphenyl)phenyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-[4-(4-octylphenyl)phenyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-5-methyl-N-[4-(4-octylphenyl)phenyl]isoxazole-4-carboxamide Formula: C31H33ClN2O2 MolecularWeight: 501.05892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C

InChI

InChI=1S/C31H33ClN2O2/c1-3-4-5-6-7-8-11-23-14-16-24(17-15-23)25-18-20-26(21-19-25)33-31(35)29-22(2)36-34-30(29)27-12-9-10-13-28(27)32/h9-10,12-21H,3-8,11H2,1-2H3,(H,33,35)