1-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-carbethoxy-3,5-dimethyl-1H-pyrrole-2-carbonyl)nipecotic acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCCC(C2)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCCC(C2)C(=O)O)C

InChI

InChI=1S/C16H22N2O5/c1-4-23-16(22)12-9(2)13(17-10(12)3)14(19)18-7-5-6-11(8-18)15(20)21/h11,17H,4-8H2,1-3H3,(H,20,21)