ethyl (5S,8aS)-8a-methyl-5-oxidanyl-2-pyrrolidin-1-yl-5,6,7,8,9,10-hexahydro-4bH-phenanthrene-3-carboxylate

Systemtic Name: ethyl (5S,8aS)-8a-methyl-5-oxidanyl-2-pyrrolidin-1-yl-5,6,7,8,9,10-hexahydro-4bH-phenanthrene-3-carboxylate Openeye Name: ethyl (5S,8aS)-5-hydroxy-8a-methyl-2-pyrrolidin-1-yl-5,6,7,8,9,10-hexahydro-4bH-phenanthrene-3-carboxylate CAS Name: (5S,8aS)-5-hydroxy-8a-methyl-2-(1-pyrrolidinyl)-5,6,7,8,9,10-hexahydro-4bH-phenanthrene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5S,8aS)-5-hydroxy-8a-methyl-2-pyrrolidin-1-yl-5,6,7,8,9,10-hexahydro-4bH-phenanthrene-3-carboxylate Traditional Name: (5S,8aS)-5-hydroxy-8a-methyl-2-pyrrolidino-5,6,7,8,9,10-hexahydro-4bH-phenanthrene-3-carboxylic acid ethyl ester Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(CCC3(C2C(CCC3)O)C)C=C1N4CCCC4

Isomeric SMILES

CCOC(=O)C1=CC2=C(CC[C@]3(C2[C@H](CCC3)O)C)C=C1N4CCCC4

InChI

InChI=1S/C22H31NO3/c1-3-26-21(25)17-14-16-15(13-18(17)23-11-4-5-12-23)8-10-22(2)9-6-7-19(24)20(16)22/h13-14,19-20,24H,3-12H2,1-2H3/t19-,20?,22-/m0/s1