ethyl 2-[2-[[4-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]-1,4-diazepan-1-yl]methyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[2-[[4-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]-1,4-diazepan-1-yl]methyl]phenoxy]ethanoate Openeye Name: ethyl 2-[2-[[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,4-diazepan-1-yl]methyl]phenoxy]acetate CAS Name: 2-[2-[[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,4-diazepan-1-yl]methyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1,4-diazepan-1-yl]methyl]phenoxy]acetate Traditional Name: 2-[2-[[4-[2-keto-2-[2-(trifluoromethyl)anilino]ethyl]-1,4-diazepan-1-yl]methyl]phenoxy]acetic acid ethyl ester Formula: C25H30F3N3O4 MolecularWeight: 493.51861

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC=C1CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)COC1=CC=CC=C1CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C25H30F3N3O4/c1-2-34-24(33)18-35-22-11-6-3-8-19(22)16-30-12-7-13-31(15-14-30)17-23(32)29-21-10-5-4-9-20(21)25(26,27)28/h3-6,8-11H,2,7,12-18H2,1H3,(H,29,32)