methyl (4S,5R)-5-benzamido-4-phenyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate

Systemtic Name: methyl (4S,5R)-5-benzamido-4-phenyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate Openeye Name: methyl (4S,5R)-5-benzamido-4-phenyl-3-(2,4,6-trimethylphenyl)-4H-isoxazole-5-carboxylate CAS Name: (4S,5R)-5-benzamido-4-phenyl-3-(2,4,6-trimethylphenyl)-4H-isoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5R)-5-benzamido-4-phenyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate Traditional Name: (4S,5R)-5-benzamido-3-mesityl-4-phenyl-2-isoxazoline-5-carboxylic acid methyl ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NOC(C2C3=CC=CC=C3)(C(=O)OC)NC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NO[C@]([C@H]2C3=CC=CC=C3)(C(=O)OC)NC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H26N2O4/c1-17-15-18(2)22(19(3)16-17)24-23(20-11-7-5-8-12-20)27(33-29-24,26(31)32-4)28-25(30)21-13-9-6-10-14-21/h5-16,23H,1-4H3,(H,28,30)/t23-,27+/m0/s1