2-[oxidanyl-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]cyclohex-2-en-1-one

Systemtic Name: 2-[oxidanyl-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]cyclohex-2-en-1-one Openeye Name: 2-[[3-(4-benzyloxyphenyl)isoxazol-5-yl]-hydroxy-methyl]cyclohex-2-en-1-one CAS Name: 2-[hydroxy-[3-(4-phenylmethoxyphenyl)-5-isoxazolyl]methyl]-1-cyclohex-2-enone IUPAC Name: 2-[hydroxy-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]cyclohex-2-en-1-one Traditional Name: 2-[[3-(4-benzoxyphenyl)isoxazol-5-yl]-hydroxy-methyl]cyclohex-2-en-1-one Formula: C23H21NO4 MolecularWeight: 375.41714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(=O)C1)C(C2=CC(=NO2)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

C1CC=C(C(=O)C1)C(C2=CC(=NO2)C3=CC=C(C=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C23H21NO4/c25-21-9-5-4-8-19(21)23(26)22-14-20(24-28-22)17-10-12-18(13-11-17)27-15-16-6-2-1-3-7-16/h1-3,6-8,10-14,23,26H,4-5,9,15H2