ethyl (3aR,7R,7aS)-2,2-dimethyl-7-pyrrolidin-1-yl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

Systemtic Name: ethyl (3aR,7R,7aS)-2,2-dimethyl-7-pyrrolidin-1-yl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Openeye Name: ethyl (3aR,7R,7aS)-2,2-dimethyl-7-pyrrolidin-1-yl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate CAS Name: (3aR,7R,7aS)-2,2-dimethyl-7-(1-pyrrolidinyl)-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3aR,7R,7aS)-2,2-dimethyl-7-pyrrolidin-1-yl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate Traditional Name: (3aR,7R,7aS)-2,2-dimethyl-7-pyrrolidino-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid ethyl ester Formula: C16H25NO4 MolecularWeight: 295.374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(C2C(C1)OC(O2)(C)C)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C[C@H]([C@H]2[C@@H](C1)OC(O2)(C)C)N3CCCC3

InChI

InChI=1S/C16H25NO4/c1-4-19-15(18)11-9-12(17-7-5-6-8-17)14-13(10-11)20-16(2,3)21-14/h9,12-14H,4-8,10H2,1-3H3/t12-,13-,14+/m1/s1