[1-(4-ethanoylphenyl)azepan-4-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate

Systemtic Name: [1-(4-ethanoylphenyl)azepan-4-yl] 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate Openeye Name: [1-(4-acetylphenyl)azepan-4-yl] 3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate CAS Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid [1-(4-acetylphenyl)-4-azepanyl] ester IUPAC Name: [1-(4-acetylphenyl)azepan-4-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Traditional Name: 3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid [1-(4-acetylphenyl)azepan-4-yl] ester Formula: C24H26F3NO4 MolecularWeight: 449.46275

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCCC(CC2)OC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCCC(CC2)OC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC

InChI

InChI=1S/C24H26F3NO4/c1-17(29)18-10-12-20(13-11-18)28-15-6-9-21(14-16-28)32-22(30)23(31-2,24(25,26)27)19-7-4-3-5-8-19/h3-5,7-8,10-13,21H,6,9,14-16H2,1-2H3