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

Systemtic Name: ethyl 2-cyano-3-[[(1S,6R)-3,4-diethyl-6-methyl-cyclohex-3-en-1-yl]methyl]-3-ethyl-pentanoate Openeye Name: ethyl 2-cyano-3-[[(1S,6R)-3,4-diethyl-6-methyl-cyclohex-3-en-1-yl]methyl]-3-ethyl-pentanoate CAS Name: 2-cyano-3-[[(1S,6R)-3,4-diethyl-6-methyl-1-cyclohex-3-enyl]methyl]-3-ethylpentanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[[(1S,6R)-3,4-diethyl-6-methylcyclohex-3-en-1-yl]methyl]-3-ethylpentanoate Traditional Name: 2-cyano-3-[[(1S,6R)-3,4-diethyl-6-methyl-cyclohex-3-en-1-yl]methyl]-3-ethyl-valeric acid ethyl ester Formula: C22H37NO2 MolecularWeight: 347.53468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H37NO2/c1-7-17-12-16(6)19(13-18(17)8-2)14-22(9-3,10-4)20(15-23)21(24)25-11-5/h16,19-20H,7-14H2,1-6H3/t16-,19-,20?/m1/s1