1-(ethylcarbamoyl)-5-(4-fluoranyl-3-methyl-phenyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(ethylcarbamoyl)-5-(4-fluoranyl-3-methyl-phenyl)piperidine-3-carboxylic acid Openeye Name: 1-(ethylcarbamoyl)-5-(4-fluoro-3-methyl-phenyl)piperidine-3-carboxylic acid CAS Name: 1-(ethylcarbamoyl)-5-(4-fluoro-3-methylphenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(ethylcarbamoyl)-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid Traditional Name: 1-(ethylcarbamoyl)-5-(4-fluoro-3-methyl-phenyl)nipecotic acid Formula: C16H21FN2O3 MolecularWeight: 308.347943

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1CC(CC(C1)C(=O)O)C2=CC(=C(C=C2)F)C

Isomeric SMILES

CCNC(=O)N1CC(CC(C1)C(=O)O)C2=CC(=C(C=C2)F)C

InChI

InChI=1S/C16H21FN2O3/c1-3-18-16(22)19-8-12(7-13(9-19)15(20)21)11-4-5-14(17)10(2)6-11/h4-6,12-13H,3,7-9H2,1-2H3,(H,18,22)(H,20,21)