methyl (3aR,6aR)-4-cyano-3a-ethyl-6a-methyl-3,6-dihydropentalene-1-carboxylate

Systemtic Name: methyl (3aR,6aR)-4-cyano-3a-ethyl-6a-methyl-3,6-dihydropentalene-1-carboxylate Openeye Name: methyl (3aR,6aR)-4-cyano-3a-ethyl-6a-methyl-3,6-dihydropentalene-1-carboxylate CAS Name: (3aR,6aR)-4-cyano-3a-ethyl-6a-methyl-3,6-dihydropentalene-1-carboxylic acid methyl ester IUPAC Name: methyl (3aR,6aR)-4-cyano-3a-ethyl-6a-methyl-3,6-dihydropentalene-1-carboxylate Traditional Name: (3aR,6aR)-4-cyano-3a-ethyl-6a-methyl-3,6-dihydropentalene-1-carboxylic acid methyl ester Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC=C(C1(CC=C2C#N)C)C(=O)OC

Isomeric SMILES

CC[C@@]12CC=C([C@@]1(CC=C2C#N)C)C(=O)OC

InChI

InChI=1S/C14H17NO2/c1-4-14-8-6-11(12(16)17-3)13(14,2)7-5-10(14)9-15/h5-6H,4,7-8H2,1-3H3/t13-,14-/m0/s1