(2-oxidanylidenecyclohexyl) 3-[3-oxidanylidene-4-(phenylmethyl)-7-(trifluoromethyl)quinoxalin-2-yl]propanoate

Systemtic Name: (2-oxidanylidenecyclohexyl) 3-[3-oxidanylidene-4-(phenylmethyl)-7-(trifluoromethyl)quinoxalin-2-yl]propanoate Openeye Name: (2-oxocyclohexyl) 3-[4-benzyl-3-oxo-7-(trifluoromethyl)quinoxalin-2-yl]propanoate CAS Name: 3-[3-oxo-4-(phenylmethyl)-7-(trifluoromethyl)-2-quinoxalinyl]propanoic acid (2-oxocyclohexyl) ester IUPAC Name: (2-oxocyclohexyl) 3-[4-benzyl-3-oxo-7-(trifluoromethyl)quinoxalin-2-yl]propanoate Traditional Name: 3-[4-benzyl-3-keto-7-(trifluoromethyl)quinoxalin-2-yl]propionic acid (2-ketocyclohexyl) ester Formula: C25H23F3N2O4 MolecularWeight: 472.45633

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)CCC2=NC3=C(C=CC(=C3)C(F)(F)F)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)C(C1)OC(=O)CCC2=NC3=C(C=CC(=C3)C(F)(F)F)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H23F3N2O4/c26-25(27,28)17-10-12-20-19(14-17)29-18(24(33)30(20)15-16-6-2-1-3-7-16)11-13-23(32)34-22-9-5-4-8-21(22)31/h1-3,6-7,10,12,14,22H,4-5,8-9,11,13,15H2