ethyl 1-[(2S)-2-[(3-methyl-1-benzofuran-2-yl)carbonyloxy]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-2-[(3-methyl-1-benzofuran-2-yl)carbonyloxy]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-(3-methylbenzofuran-2-carbonyl)oxypropanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-[(3-methyl-2-benzofuranyl)-oxomethoxy]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-(3-methyl-1-benzofuran-2-carbonyl)oxypropanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-(3-methylbenzofuran-2-carbonyl)oxypropanoyl]isonipecotic acid ethyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3O2)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)OC(=O)C2=C(C3=CC=CC=C3O2)C

InChI

InChI=1S/C21H25NO6/c1-4-26-20(24)15-9-11-22(12-10-15)19(23)14(3)27-21(25)18-13(2)16-7-5-6-8-17(16)28-18/h5-8,14-15H,4,9-12H2,1-3H3/t14-/m0/s1