[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)benzoate

Systemtic Name: [(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)benzoate Openeye Name: [(1R)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid [(1R)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C27H25NO3 MolecularWeight: 411.4923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC=CC=C2C3=CC=CC=C3C#N

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC=CC=C2C3=CC=CC=C3C#N

InChI

InChI=1S/C27H25NO3/c1-18(25(29)19-13-15-21(16-14-19)27(2,3)4)31-26(30)24-12-8-7-11-23(24)22-10-6-5-9-20(22)17-28/h5-16,18H,1-4H3/t18-/m1/s1