ethyl 4-[(3-fluorophenyl)methyl]-1-[3-(2-methylimidazol-1-yl)propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[3-(2-methylimidazol-1-yl)propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[3-(2-methylimidazol-1-yl)propanoyl]piperidine-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-[3-(2-methyl-1-imidazolyl)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-fluorophenyl)methyl]-1-[3-(2-methylimidazol-1-yl)propanoyl]piperidine-4-carboxylate Traditional Name: 4-(3-fluorobenzyl)-1-[3-(2-methylimidazol-1-yl)propanoyl]isonipecotic acid ethyl ester Formula: C22H28FN3O3 MolecularWeight: 401.474423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)CCN2C=CN=C2C)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)CCN2C=CN=C2C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H28FN3O3/c1-3-29-21(28)22(16-18-5-4-6-19(23)15-18)8-12-26(13-9-22)20(27)7-11-25-14-10-24-17(25)2/h4-6,10,14-15H,3,7-9,11-13,16H2,1-2H3