ethyl (3bS,5aR,6R,7S,9aR,9bR)-3b-cyano-6,9a-dimethyl-7-oxidanyl-5,5a,7,8,9,9b,10,11-octahydro-4H-naphtho[2,1-e][2]benzofuran-6-carboxylate

Systemtic Name: ethyl (3bS,5aR,6R,7S,9aR,9bR)-3b-cyano-6,9a-dimethyl-7-oxidanyl-5,5a,7,8,9,9b,10,11-octahydro-4H-naphtho[2,1-e][2]benzofuran-6-carboxylate Openeye Name: ethyl (3bS,5aR,6R,7S,9aR,9bR)-3b-cyano-7-hydroxy-6,9a-dimethyl-5,5a,7,8,9,9b,10,11-octahydro-4H-naphtho[2,1-e]isobenzofuran-6-carboxylate CAS Name: (3bS,5aR,6R,7S,9aR,9bR)-3b-cyano-7-hydroxy-6,9a-dimethyl-5,5a,7,8,9,9b,10,11-octahydro-4H-naphtho[2,1-e]isobenzofuran-6-carboxylic acid ethyl ester IUPAC Name: ethyl (3bS,5aR,6R,7S,9aR,9bR)-3b-cyano-7-hydroxy-6,9a-dimethyl-5,5a,7,8,9,9b,10,11-octahydro-4H-naphtho[2,1-e][2]benzofuran-6-carboxylate Traditional Name: (3bS,5aR,6R,7S,9aR,9bR)-3b-cyano-7-hydroxy-6,9a-dimethyl-5,5a,7,8,9,9b,10,11-octahydro-4H-naphth[2,1-e]isobenzofuran-6-carboxylic acid ethyl ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2CCC3(C(C2(CCC1O)C)CCC4=COC=C43)C#N)C

Isomeric SMILES

CCOC(=O)[C@@]1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O)C)CCC4=COC=C43)C#N)C

InChI

InChI=1S/C22H29NO4/c1-4-27-19(25)21(3)16-7-10-22(13-23)15-12-26-11-14(15)5-6-17(22)20(16,2)9-8-18(21)24/h11-12,16-18,24H,4-10H2,1-3H3/t16-,17-,18+,20+,21-,22-/m1/s1