(3S)-1-(4-chloranyl-1-methyl-pyrrol-2-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-(4-chloranyl-1-methyl-pyrrol-2-yl)carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(4-chloro-1-methyl-pyrrole-2-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(4-chloro-1-methyl-2-pyrrolyl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(4-chloro-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(4-chloro-1-methyl-pyrrole-2-carbonyl)nipecotate Formula: C12H14ClN2O3- MolecularWeight: 269.70416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N2CCCC(C2)C(=O)[O-])Cl

Isomeric SMILES

CN1C=C(C=C1C(=O)N2CCC[C@@H](C2)C(=O)[O-])Cl

InChI

InChI=1S/C12H15ClN2O3/c1-14-7-9(13)5-10(14)11(16)15-4-2-3-8(6-15)12(17)18/h5,7-8H,2-4,6H2,1H3,(H,17,18)/p-1/t8-/m0/s1