piperidin-4-ylmethyl 4-benzamidobutanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: piperidin-4-ylmethyl 4-benzamidobutanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-piperidylmethyl 4-benzamidobutanoate; 2,2,2-trifluoroacetic acid CAS Name: 4-benzamidobutanoic acid 4-piperidinylmethyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: piperidin-4-ylmethyl 4-benzamidobutanoate; 2,2,2-trifluoroacetic acid Traditional Name: 4-benzamidobutyric acid 4-piperidylmethyl ester; 2,2,2-trifluoroacetic acid Formula: C21H26F6N2O7 MolecularWeight: 532.430759

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1COC(=O)CCCNC(=O)C2=CC=CC=C2.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CNCCC1COC(=O)CCCNC(=O)C2=CC=CC=C2.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C17H24N2O3.2C2HF3O2/c20-16(22-13-14-8-11-18-12-9-14)7-4-10-19-17(21)15-5-2-1-3-6-15;2*3-2(4,5)1(6)7/h1-3,5-6,14,18H,4,7-13H2,(H,19,21);2*(H,6,7)