4-phenylmethoxycarbonyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxylic acid

Systemtic Name: 4-phenylmethoxycarbonyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxylic acid CAS Name: 4-phenylmethoxycarbonyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2-piperazinecarboxylic acid IUPAC Name: 4-phenylmethoxycarbonyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-[4-(trifluoromethyl)benzyl]piperazine-2-carboxylic acid Formula: C21H21F3N2O4 MolecularWeight: 422.39765

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O4/c22-21(23,24)17-8-6-15(7-9-17)12-25-10-11-26(13-18(25)19(27)28)20(29)30-14-16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,27,28)