(3S)-1-(4-ethanoyl-1-methyl-pyrrol-2-yl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-(4-ethanoyl-1-methyl-pyrrol-2-yl)carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-(4-acetyl-1-methyl-pyrrole-2-carbonyl)piperidine-3-carboxylic acid CAS Name: (3S)-1-[(4-acetyl-1-methyl-2-pyrrolyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(4-acetyl-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(4-acetyl-1-methyl-pyrrole-2-carbonyl)nipecotic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)N2CCCC(C2)C(=O)O)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)N2CCC[C@@H](C2)C(=O)O)C

InChI

InChI=1S/C14H18N2O4/c1-9(17)11-6-12(15(2)7-11)13(18)16-5-3-4-10(8-16)14(19)20/h6-7,10H,3-5,8H2,1-2H3,(H,19,20)/t10-/m0/s1