[4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: [4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: [4-(4-methylsulfonylphenyl)-3-phenyl-isoxazol-5-yl] 2-(4-isobutylphenyl)propanoate CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid [4-(4-methylsulfonylphenyl)-3-phenyl-5-isoxazolyl] ester IUPAC Name: [4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazol-5-yl] 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: 2-(4-isobutylphenyl)propionic acid [4-(4-mesylphenyl)-3-phenyl-isoxazol-5-yl] ester Formula: C29H29NO5S MolecularWeight: 503.60926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2=C(C(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2=C(C(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C29H29NO5S/c1-19(2)18-21-10-12-22(13-11-21)20(3)28(31)34-29-26(23-14-16-25(17-15-23)36(4,32)33)27(30-35-29)24-8-6-5-7-9-24/h5-17,19-20H,18H2,1-4H3