ethyl (3R)-1-(4-dimethylaminophenyl)carbonyl-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-(4-dimethylaminophenyl)carbonyl-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[4-(dimethylamino)benzoyl]-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate CAS Name: (3R)-1-[(4-dimethylaminophenyl)-oxomethyl]-3-[(4-fluorophenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[4-(dimethylamino)benzoyl]-3-[(4-fluorophenyl)methyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[4-(dimethylamino)benzoyl]-3-(4-fluorobenzyl)nipecotic acid ethyl ester Formula: C24H29FN2O3 MolecularWeight: 412.497063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29FN2O3/c1-4-30-23(29)24(16-18-6-10-20(25)11-7-18)14-5-15-27(17-24)22(28)19-8-12-21(13-9-19)26(2)3/h6-13H,4-5,14-17H2,1-3H3/t24-/m1/s1