methyl 4-[(2-fluorophenyl)-propanoyl-amino]-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylate

Systemtic Name: methyl 4-[(2-fluorophenyl)-propanoyl-amino]-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylate Openeye Name: methyl 4-(2-fluoro-N-propanoyl-anilino)-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylate CAS Name: 4-[2-fluoro-N-(1-oxopropyl)anilino]-1-[2-(1-imidazolyl)ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-fluoro-N-propanoylanilino)-1-(2-imidazol-1-ylethyl)piperidine-4-carboxylate Traditional Name: 4-(2-fluoro-N-propionyl-anilino)-1-(2-imidazol-1-ylethyl)isonipecotic acid methyl ester Formula: C21H27FN4O3 MolecularWeight: 402.462483

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1F)C2(CCN(CC2)CCN3C=CN=C3)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1F)C2(CCN(CC2)CCN3C=CN=C3)C(=O)OC

InChI

InChI=1S/C21H27FN4O3/c1-3-19(27)26(18-7-5-4-6-17(18)22)21(20(28)29-2)8-11-24(12-9-21)14-15-25-13-10-23-16-25/h4-7,10,13,16H,3,8-9,11-12,14-15H2,1-2H3