ethyl 1-[2-chloranyl-5-(trifluoromethyl)phenyl]carbonyl-4-(cyclopropylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-chloranyl-5-(trifluoromethyl)phenyl]carbonyl-4-(cyclopropylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[2-chloro-5-(trifluoromethyl)benzoyl]-4-(cyclopropylmethyl)piperidine-4-carboxylate CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-oxomethyl]-4-(cyclopropylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-chloro-5-(trifluoromethyl)benzoyl]-4-(cyclopropylmethyl)piperidine-4-carboxylate Traditional Name: 1-[2-chloro-5-(trifluoromethyl)benzoyl]-4-(cyclopropylmethyl)isonipecotic acid ethyl ester Formula: C20H23ClF3NO3 MolecularWeight: 417.84973

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl)CC3CC3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=C(C=CC(=C2)C(F)(F)F)Cl)CC3CC3

InChI

InChI=1S/C20H23ClF3NO3/c1-2-28-18(27)19(12-13-3-4-13)7-9-25(10-8-19)17(26)15-11-14(20(22,23)24)5-6-16(15)21/h5-6,11,13H,2-4,7-10,12H2,1H3