(2'S,4S)-2'-(4-methoxyphenyl)-2-phenyl-spiro[1,3-oxazole-4,3'-bicyclo[2.2.1]hept-5-ene]-5-one

Systemtic Name: (2'S,4S)-2'-(4-methoxyphenyl)-2-phenyl-spiro[1,3-oxazole-4,3'-bicyclo[2.2.1]hept-5-ene]-5-one Openeye Name: (2S,3S)-2-(4-methoxyphenyl)-2'-phenyl-spiro[bicyclo[2.2.1]hept-5-ene-3,4'-oxazole]-5'-one CAS Name: (2S,3S)-2-(4-methoxyphenyl)-2'-phenyl-5'-spiro[bicyclo[2.2.1]hept-5-ene-3,4'-oxazole]one IUPAC Name: (2'S,4S)-2'-(4-methoxyphenyl)-2-phenylspiro[1,3-oxazole-4,3'-bicyclo[2.2.1]hept-5-ene]-5-one Traditional Name: (2'S,4S)-2'-(4-methoxyphenyl)-2-phenyl-spiro[2-oxazoline-4,3'-bicyclo[2.2.1]hept-5-ene]-5-one Formula: C22H19NO3 MolecularWeight: 345.39116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3CC(C24C(=O)OC(=N4)C5=CC=CC=C5)C=C3

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2C3CC([C@@]24C(=O)OC(=N4)C5=CC=CC=C5)C=C3

InChI

InChI=1S/C22H19NO3/c1-25-18-11-8-14(9-12-18)19-16-7-10-17(13-16)22(19)21(24)26-20(23-22)15-5-3-2-4-6-15/h2-12,16-17,19H,13H2,1H3/t16?,17?,19-,22+/m1/s1