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

Systemtic Name: 1-[(4-fluorophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-fluorophenyl)-(1-methyl-2-pyrrolyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)-(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-fluorophenyl)-(1-methylpyrrol-2-yl)methyl]isonipecotic acid Formula: C18H21FN2O2 MolecularWeight: 316.369943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O2/c1-20-10-2-3-16(20)17(13-4-6-15(19)7-5-13)21-11-8-14(9-12-21)18(22)23/h2-7,10,14,17H,8-9,11-12H2,1H3,(H,22,23)