ethyl 2-cyano-4-[(1S,6R)-3,4-diethyl-6-methyl-cyclohex-3-en-1-yl]-3-phenyl-butanoate

Systemtic Name: ethyl 2-cyano-4-[(1S,6R)-3,4-diethyl-6-methyl-cyclohex-3-en-1-yl]-3-phenyl-butanoate Openeye Name: ethyl 2-cyano-4-[(1S,6R)-3,4-diethyl-6-methyl-cyclohex-3-en-1-yl]-3-phenyl-butanoate CAS Name: 2-cyano-4-[(1S,6R)-3,4-diethyl-6-methyl-1-cyclohex-3-enyl]-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-4-[(1S,6R)-3,4-diethyl-6-methylcyclohex-3-en-1-yl]-3-phenylbutanoate Traditional Name: 2-cyano-4-[(1S,6R)-3,4-diethyl-6-methyl-cyclohex-3-en-1-yl]-3-phenyl-butyric acid ethyl ester Formula: C24H33NO2 MolecularWeight: 367.52432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CC(C(C1)C)CC(C2=CC=CC=C2)C(C#N)C(=O)OCC)CC

Isomeric SMILES

CCC1=C(C[C@@H]([C@@H](C1)C)CC(C2=CC=CC=C2)C(C#N)C(=O)OCC)CC

InChI

InChI=1S/C24H33NO2/c1-5-18-13-17(4)21(14-19(18)6-2)15-22(20-11-9-8-10-12-20)23(16-25)24(26)27-7-3/h8-12,17,21-23H,5-7,13-15H2,1-4H3/t17-,21-,22?,23?/m1/s1