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

Systemtic Name: 2-[oxidanyl-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]cyclopent-2-en-1-one Openeye Name: 2-[[3-(4-benzyloxyphenyl)isoxazol-5-yl]-hydroxy-methyl]cyclopent-2-en-1-one CAS Name: 2-[hydroxy-[3-(4-phenylmethoxyphenyl)-5-isoxazolyl]methyl]-1-cyclopent-2-enone IUPAC Name: 2-[hydroxy-[3-(4-phenylmethoxyphenyl)-1,2-oxazol-5-yl]methyl]cyclopent-2-en-1-one Traditional Name: 2-[[3-(4-benzoxyphenyl)isoxazol-5-yl]-hydroxy-methyl]cyclopent-2-en-1-one Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO4/c24-20-8-4-7-18(20)22(25)21-13-19(23-27-21)16-9-11-17(12-10-16)26-14-15-5-2-1-3-6-15/h1-3,5-7,9-13,22,25H,4,8,14H2