1-[4-[3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[3-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[3-[(2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-amino]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[3-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[3-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[3-[(2-chloro-6-fluoro-benzyl)-cyclopropyl-amino]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone Formula: C22H25ClFNO4 MolecularWeight: 421.889603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CN(CC2=C(C=CC=C2Cl)F)C3CC3)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC(CN(CC2=C(C=CC=C2Cl)F)C3CC3)O)OC

InChI

InChI=1S/C22H25ClFNO4/c1-14(26)15-6-9-21(22(10-15)28-2)29-13-17(27)11-25(16-7-8-16)12-18-19(23)4-3-5-20(18)24/h3-6,9-10,16-17,27H,7-8,11-13H2,1-2H3