tert-butyl 2-[7-cyclohexyl-2-oxidanylidene-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]azepan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[7-cyclohexyl-2-oxidanylidene-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[7-cyclohexyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]azepan-1-yl]acetate CAS Name: 2-[7-cyclohexyl-2-oxo-3-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[7-cyclohexyl-2-oxo-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]azepan-1-yl]acetate Traditional Name: 2-[7-cyclohexyl-2-keto-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]azepan-1-yl]acetic acid tert-butyl ester Formula: C26H36F3N3O4 MolecularWeight: 511.57695

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(CCCC(C1=O)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(CCCC(C1=O)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3CCCCC3

InChI

InChI=1S/C26H36F3N3O4/c1-25(2,3)36-22(33)16-32-21(17-9-5-4-6-10-17)14-8-13-20(23(32)34)31-24(35)30-19-12-7-11-18(15-19)26(27,28)29/h7,11-12,15,17,20-21H,4-6,8-10,13-14,16H2,1-3H3,(H2,30,31,35)