[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl] 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid [2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid [2-keto-2-[(3R)-3-methylpiperidino]ethyl] ester Formula: C18H20ClNO4 MolecularWeight: 349.8087

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClNO4/c1-11-4-3-7-20(9-11)16(21)10-23-18(22)17-12(2)14-8-13(19)5-6-15(14)24-17/h5-6,8,11H,3-4,7,9-10H2,1-2H3/t11-/m1/s1