(3S)-1-(1-methylpyrrol-2-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-(1-methylpyrrol-2-yl)carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate CAS Name: (3S)-1-[(1-methyl-2-pyrrolyl)-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1-methylpyrrole-2-carbonyl)nipecotate Formula: C12H15N2O3- MolecularWeight: 235.2591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3/c1-13-6-3-5-10(13)11(15)14-7-2-4-9(8-14)12(16)17/h3,5-6,9H,2,4,7-8H2,1H3,(H,16,17)/p-1/t9-/m0/s1