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

Systemtic Name: 1-[3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)propanoyl]isonipecotic acid Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)N2CCC(CC2)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)N2CCC(CC2)C(=O)O)C

InChI

InChI=1S/C18H26N2O5/c1-4-25-18(24)16-11(2)14(12(3)19-16)5-6-15(21)20-9-7-13(8-10-20)17(22)23/h13,19H,4-10H2,1-3H3,(H,22,23)