ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(4-imidazol-1-ylphenyl)carbonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(4-imidazol-1-ylphenyl)carbonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(4-imidazol-1-ylbenzoyl)piperidine-3-carboxylate CAS Name: (3S)-3-[(2-fluorophenyl)methyl]-1-[[4-(1-imidazolyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(4-imidazol-1-ylbenzoyl)piperidine-3-carboxylate Traditional Name: (3S)-3-(2-fluorobenzyl)-1-(4-imidazol-1-ylbenzoyl)nipecotic acid ethyl ester Formula: C25H26FN3O3 MolecularWeight: 435.490643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=C(C=C2)N3C=CN=C3)CC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC=C(C=C2)N3C=CN=C3)CC4=CC=CC=C4F

InChI

InChI=1S/C25H26FN3O3/c1-2-32-24(31)25(16-20-6-3-4-7-22(20)26)12-5-14-28(17-25)23(30)19-8-10-21(11-9-19)29-15-13-27-18-29/h3-4,6-11,13,15,18H,2,5,12,14,16-17H2,1H3/t25-/m0/s1