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

Systemtic Name: [2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [2-[(3R,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [2-[(3R,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [2-[(3R,5S)-3,5-dimethylpiperidino]-2-keto-ethyl] ester Formula: C18H20ClNO4 MolecularWeight: 349.8087

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C

InChI

InChI=1S/C18H20ClNO4/c1-11-5-12(2)9-20(8-11)17(21)10-23-18(22)16-7-13-6-14(19)3-4-15(13)24-16/h3-4,6-7,11-12H,5,8-10H2,1-2H3/t11-,12+