1-[(1-methylpyrrol-2-yl)-phenyl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(1-methylpyrrol-2-yl)-phenyl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-methylpyrrol-2-yl)-phenyl-methyl]piperidine-4-carboxylic acid CAS Name: 1-[(1-methyl-2-pyrrolyl)-phenylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-methylpyrrol-2-yl)-phenylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-methylpyrrol-2-yl)-phenyl-methyl]isonipecotic acid Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN1C=CC=C1C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H22N2O2/c1-19-11-5-8-16(19)17(14-6-3-2-4-7-14)20-12-9-15(10-13-20)18(21)22/h2-8,11,15,17H,9-10,12-13H2,1H3,(H,21,22)