[4-butyl-2,6-bis(oxidanylidene)piperazin-1-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoate

Systemtic Name: [4-butyl-2,6-bis(oxidanylidene)piperazin-1-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoate Openeye Name: (4-butyl-2,6-dioxo-piperazin-1-yl)methyl 2-(tert-butoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoic acid (4-butyl-2,6-dioxo-1-piperazinyl)methyl ester IUPAC Name: (4-butyl-2,6-dioxopiperazin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propionic acid (4-butyl-2,6-diketo-piperazino)methyl ester Formula: C24H32F3N3O6 MolecularWeight: 515.52259

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(=O)N(C(=O)C1)COC(=O)C(CC2=CC=C(C=C2)C(F)(F)F)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCN1CC(=O)N(C(=O)C1)COC(=O)C(CC2=CC=C(C=C2)C(F)(F)F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H32F3N3O6/c1-5-6-11-29-13-19(31)30(20(32)14-29)15-35-21(33)18(28-22(34)36-23(2,3)4)12-16-7-9-17(10-8-16)24(25,26)27/h7-10,18H,5-6,11-15H2,1-4H3,(H,28,34)