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

Systemtic Name: [2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [2-[(3S)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [2-[(3S)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [2-[(3S)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C17H17ClN2O5 MolecularWeight: 364.78028

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC(=O)C2=CC3=C(O2)C=CC(=C3)Cl)C(=O)N

InChI

InChI=1S/C17H17ClN2O5/c18-12-3-4-13-11(6-12)7-14(25-13)17(23)24-9-15(21)20-5-1-2-10(8-20)16(19)22/h3-4,6-7,10H,1-2,5,8-9H2,(H2,19,22)/t10-/m0/s1