(4S,5S)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid

Systemtic Name: (4S,5S)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid Openeye Name: (4S,5S)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydroisoxazole-4-carboxylic acid CAS Name: (4S,5S)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydroisoxazole-4-carboxylic acid IUPAC Name: (4S,5S)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid Traditional Name: (4S,5S)-3-(4-chlorophenyl)-5-phenyl-2-isoxazoline-4-carboxylic acid Formula: C16H12ClNO3 MolecularWeight: 301.72438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=NO2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](C(=NO2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H12ClNO3/c17-12-8-6-10(7-9-12)14-13(16(19)20)15(21-18-14)11-4-2-1-3-5-11/h1-9,13,15H,(H,19,20)/t13-,15+/m0/s1