2-[[4-(trifluoromethyl)phenyl]methylamino]pent-4-ynoyl 1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylate

Systemtic Name: 2-[[4-(trifluoromethyl)phenyl]methylamino]pent-4-ynoyl 1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylate Openeye Name: 2-[[4-(trifluoromethyl)phenyl]methylamino]pent-4-ynoyl 1-[3-(4-piperidyl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-3-(4-piperidinyl)propyl]-3-piperidinecarboxylic acid [1-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]pent-4-ynyl] ester IUPAC Name: 2-[[4-(trifluoromethyl)phenyl]methylamino]pent-4-ynoyl 1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylate Traditional Name: 1-[3-(4-piperidyl)propanoyl]nipecotic acid 2-[[4-(trifluoromethyl)benzyl]amino]pent-4-ynoyl ester Formula: C27H34F3N3O4 MolecularWeight: 521.57177

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(C(=O)OC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C#CCC(C(=O)OC(=O)C1CCCN(C1)C(=O)CCC2CCNCC2)NCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C27H34F3N3O4/c1-2-4-23(32-17-20-6-9-22(10-7-20)27(28,29)30)26(36)37-25(35)21-5-3-16-33(18-21)24(34)11-8-19-12-14-31-15-13-19/h1,6-7,9-10,19,21,23,31-32H,3-5,8,11-18H2