methyl 1-[2-[(2S)-2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-2,5-dihydropyrrol-1-yl]ethyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(2S)-2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-2,5-dihydropyrrol-1-yl]ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(2S)-2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-2,5-dihydropyrrol-1-yl]ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[(2S)-2-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]-oxomethyl]-2,5-dihydropyrrol-1-yl]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2S)-2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-2,5-dihydropyrrol-1-yl]ethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2S)-2-[[3,5-bis(trifluoromethyl)benzyl]carbamoyl]-3-pyrrolin-1-yl]ethyl]isonipecotic acid methyl ester Formula: C23H27F6N3O3 MolecularWeight: 507.469199

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CCN2CC=CC2C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC(=O)C1CCN(CC1)CCN2CC=C[C@H]2C(=O)NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C23H27F6N3O3/c1-35-21(34)16-4-7-31(8-5-16)9-10-32-6-2-3-19(32)20(33)30-14-15-11-17(22(24,25)26)13-18(12-15)23(27,28)29/h2-3,11-13,16,19H,4-10,14H2,1H3,(H,30,33)/t19-/m0/s1