ethyl 3-[(1S)-1-[(1R)-2,2-dicyano-1-phenyl-pent-4-enyl]-2-oxidanylidene-cyclohexyl]propanoate

Systemtic Name: ethyl 3-[(1S)-1-[(1R)-2,2-dicyano-1-phenyl-pent-4-enyl]-2-oxidanylidene-cyclohexyl]propanoate Openeye Name: ethyl 3-[(1S)-1-[(1R)-2,2-dicyano-1-phenyl-pent-4-enyl]-2-oxo-cyclohexyl]propanoate CAS Name: 3-[(1S)-1-[(1R)-2,2-dicyano-1-phenylpent-4-enyl]-2-oxocyclohexyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(1S)-1-[(1R)-2,2-dicyano-1-phenylpent-4-enyl]-2-oxocyclohexyl]propanoate Traditional Name: 3-[(1S)-1-[(1R)-2,2-dicyano-1-phenyl-pent-4-enyl]-2-keto-cyclohexyl]propionic acid ethyl ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1(CCCCC1=O)C(C2=CC=CC=C2)C(CC=C)(C#N)C#N

Isomeric SMILES

CCOC(=O)CC[C@@]1(CCCCC1=O)[C@H](C2=CC=CC=C2)C(CC=C)(C#N)C#N

InChI

InChI=1S/C24H28N2O3/c1-3-14-23(17-25,18-26)22(19-10-6-5-7-11-19)24(15-9-8-12-20(24)27)16-13-21(28)29-4-2/h3,5-7,10-11,22H,1,4,8-9,12-16H2,2H3/t22-,24-/m1/s1