[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C13H17ClN2O3 MolecularWeight: 284.73868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC(=CN2)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2=CC(=CN2)Cl

InChI

InChI=1S/C13H17ClN2O3/c1-9-3-2-4-16(7-9)12(17)8-19-13(18)11-5-10(14)6-15-11/h5-6,9,15H,2-4,7-8H2,1H3/t9-/m0/s1