[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl] ester Formula: C21H27NO5 MolecularWeight: 373.44278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)N3C[C@@H](C[C@H](C3)C)C

InChI

InChI=1S/C21H27NO5/c1-4-25-12-17-16-7-5-6-8-18(16)27-20(17)21(24)26-13-19(23)22-10-14(2)9-15(3)11-22/h5-8,14-15H,4,9-13H2,1-3H3/t14-,15-/m1/s1