1-[(3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)nipecotic acid Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C(=O)N2CCCC(C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(N1)C(=O)N2CCCC(C2)C(=O)O)C

InChI

InChI=1S/C13H18N2O3/c1-8-6-9(2)14-11(8)12(16)15-5-3-4-10(7-15)13(17)18/h6,10,14H,3-5,7H2,1-2H3,(H,17,18)