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

Systemtic Name: 3-[[5-methyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-4-yl]-oxidanyl-methyl]but-3-en-2-one Openeye Name: 3-[[3-(4-benzyloxyphenyl)-5-methyl-isoxazol-4-yl]-hydroxy-methyl]but-3-en-2-one CAS Name: 3-[hydroxy-[5-methyl-3-(4-phenylmethoxyphenyl)-4-isoxazolyl]methyl]-3-buten-2-one IUPAC Name: 3-[hydroxy-[5-methyl-3-(4-phenylmethoxyphenyl)-1,2-oxazol-4-yl]methyl]but-3-en-2-one Traditional Name: 3-[[3-(4-benzoxyphenyl)-5-methyl-isoxazol-4-yl]-hydroxy-methyl]but-3-en-2-one Formula: C22H21NO4 MolecularWeight: 363.40644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(C(=C)C(=O)C)O

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(C(=C)C(=O)C)O

InChI

InChI=1S/C22H21NO4/c1-14(15(2)24)22(25)20-16(3)27-23-21(20)18-9-11-19(12-10-18)26-13-17-7-5-4-6-8-17/h4-12,22,25H,1,13H2,2-3H3