2-[4-[[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]carbamoyl]-1-piperidyl]acetic acid CAS Name: 2-[4-[oxo-[4-(1-piperazinyl)-3-(trifluoromethyl)anilino]methyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]carbamoyl]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[[4-piperazino-3-(trifluoromethyl)phenyl]carbamoyl]piperidino]acetic acid Formula: C19H25F3N4O3 MolecularWeight: 414.42201

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)N3CCNCC3)C(F)(F)F)CC(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)N3CCNCC3)C(F)(F)F)CC(=O)O

InChI

InChI=1S/C19H25F3N4O3/c20-19(21,22)15-11-14(1-2-16(15)26-9-5-23-6-10-26)24-18(29)13-3-7-25(8-4-13)12-17(27)28/h1-2,11,13,23H,3-10,12H2,(H,24,29)(H,27,28)