ethyl (4S,5S)-3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate

Systemtic Name: ethyl (4S,5S)-3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: ethyl (4S,5S)-3-(4-chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-carboxylate CAS Name: (4S,5S)-3-(4-chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: (4S,5S)-3-(4-chlorophenyl)-4-phenyl-2-isoxazoline-5-carboxylic acid ethyl ester Formula: C18H16ClNO3 MolecularWeight: 329.77754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=NO1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C(=NO1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H16ClNO3/c1-2-22-18(21)17-15(12-6-4-3-5-7-12)16(20-23-17)13-8-10-14(19)11-9-13/h3-11,15,17H,2H2,1H3/t15-,17-/m0/s1