methyl 4-[(1S,2S)-2-cyano-2-(2,2-dimethylpropanoyl)-1-prop-2-enoxy-pent-4-enyl]benzoate

Systemtic Name: methyl 4-[(1S,2S)-2-cyano-2-(2,2-dimethylpropanoyl)-1-prop-2-enoxy-pent-4-enyl]benzoate Openeye Name: methyl 4-[(1S,2S)-1-allyloxy-2-cyano-2-(2,2-dimethylpropanoyl)pent-4-enyl]benzoate CAS Name: 4-[(1S,2S)-2-cyano-2-(2,2-dimethyl-1-oxopropyl)-1-prop-2-enoxypent-4-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1S,2S)-2-cyano-2-(2,2-dimethylpropanoyl)-1-prop-2-enoxypent-4-enyl]benzoate Traditional Name: 4-[(1S,2S)-1-allyloxy-2-cyano-2-pivaloyl-pent-4-enyl]benzoic acid methyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(CC=C)(C#N)C(C1=CC=C(C=C1)C(=O)OC)OCC=C

Isomeric SMILES

CC(C)(C)C(=O)[C@@](CC=C)(C#N)[C@H](C1=CC=C(C=C1)C(=O)OC)OCC=C

InChI

InChI=1S/C22H27NO4/c1-7-13-22(15-23,20(25)21(3,4)5)18(27-14-8-2)16-9-11-17(12-10-16)19(24)26-6/h7-12,18H,1-2,13-14H2,3-6H3/t18-,22-/m0/s1