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

Systemtic Name: ethyl (3S)-1-(2-ethanoylphenyl)carbonyl-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(2-acetylbenzoyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(2-acetylphenyl)-oxomethyl]-3-[(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-acetylbenzoyl)-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(2-acetylbenzoyl)-3-(4-fluorobenzyl)nipecotic acid ethyl ester Formula: C24H26FNO4 MolecularWeight: 411.465943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C(=O)C2=CC=CC=C2C(=O)C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C(=O)C2=CC=CC=C2C(=O)C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C24H26FNO4/c1-3-30-23(29)24(15-18-9-11-19(25)12-10-18)13-6-14-26(16-24)22(28)21-8-5-4-7-20(21)17(2)27/h4-5,7-12H,3,6,13-16H2,1-2H3/t24-/m0/s1