methyl 4-[[2-(5-fluoranyl-2-oxidanyl-phenyl)ethyl-(5-methoxy-5-oxidanylidene-pentyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(5-fluoranyl-2-oxidanyl-phenyl)ethyl-(5-methoxy-5-oxidanylidene-pentyl)amino]methyl]benzoate Openeye Name: methyl 4-[[2-(5-fluoro-2-hydroxy-phenyl)ethyl-(5-methoxy-5-oxo-pentyl)amino]methyl]benzoate CAS Name: 4-[[2-(5-fluoro-2-hydroxyphenyl)ethyl-(5-methoxy-5-oxopentyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(5-fluoro-2-hydroxyphenyl)ethyl-(5-methoxy-5-oxopentyl)amino]methyl]benzoate Traditional Name: 4-[[2-(5-fluoro-2-hydroxy-phenyl)ethyl-(5-keto-5-methoxy-pentyl)amino]methyl]benzoic acid methyl ester Formula: C23H28FNO5 MolecularWeight: 417.470523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCN(CCC1=C(C=CC(=C1)F)O)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COC(=O)CCCCN(CCC1=C(C=CC(=C1)F)O)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C23H28FNO5/c1-29-22(27)5-3-4-13-25(14-12-19-15-20(24)10-11-21(19)26)16-17-6-8-18(9-7-17)23(28)30-2/h6-11,15,26H,3-5,12-14,16H2,1-2H3