2-[1-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3-phenyl-piperidin-4-yl]piperazine-1-carboxylic acid

Systemtic Name: 2-[1-[3,5-bis(trifluoromethyl)phenyl]carbonyl-3-phenyl-piperidin-4-yl]piperazine-1-carboxylic acid Openeye Name: 2-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-phenyl-4-piperidyl]piperazine-1-carboxylic acid CAS Name: 2-[1-[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]-3-phenyl-4-piperidinyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-phenylpiperidin-4-yl]piperazine-1-carboxylic acid Traditional Name: 2-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-phenyl-4-piperidyl]piperazine-1-carboxylic acid Formula: C25H25F6N3O3 MolecularWeight: 529.474719

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2CNCCN2C(=O)O)C3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CC(C1C2CNCCN2C(=O)O)C3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H25F6N3O3/c26-24(27,28)17-10-16(11-18(12-17)25(29,30)31)22(35)33-8-6-19(20(14-33)15-4-2-1-3-5-15)21-13-32-7-9-34(21)23(36)37/h1-5,10-12,19-21,32H,6-9,13-14H2,(H,36,37)