ethyl (3aR,4S,7aR)-4-cyano-2,7a-dimethyl-3a,5,6,7-tetrahydro-3H-indole-4-carboxylate

Systemtic Name: ethyl (3aR,4S,7aR)-4-cyano-2,7a-dimethyl-3a,5,6,7-tetrahydro-3H-indole-4-carboxylate Openeye Name: ethyl (3aR,4S,7aR)-4-cyano-2,7a-dimethyl-3a,5,6,7-tetrahydro-3H-indole-4-carboxylate CAS Name: (3aR,4S,7aR)-4-cyano-2,7a-dimethyl-3a,5,6,7-tetrahydro-3H-indole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,4S,7aR)-4-cyano-2,7a-dimethyl-3a,5,6,7-tetrahydro-3H-indole-4-carboxylate Traditional Name: (3aR,4S,7aR)-4-cyano-2,7a-dimethyl-3a,5,6,7-tetrahydro-3H-indole-4-carboxylic acid ethyl ester Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCC2(C1CC(=N2)C)C)C#N

Isomeric SMILES

CCOC(=O)[C@]1(CCC[C@@]2([C@@H]1CC(=N2)C)C)C#N

InChI

InChI=1S/C14H20N2O2/c1-4-18-12(17)14(9-15)7-5-6-13(3)11(14)8-10(2)16-13/h11H,4-8H2,1-3H3/t11-,13+,14+/m0/s1