[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)benzoate

Systemtic Name: [(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenyl)benzoate Openeye Name: [(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid [(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=CC=C2C3=CC=CC=C3C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC=CC=C2C3=CC=CC=C3C#N

InChI

InChI=1S/C25H21NO4/c1-3-29-20-14-12-18(13-15-20)24(27)17(2)30-25(28)23-11-7-6-10-22(23)21-9-5-4-8-19(21)16-26/h4-15,17H,3H2,1-2H3/t17-/m0/s1