ethyl 4-[4-(3-azanylpropoxy)-3-bromanyl-5-fluoranyl-phenyl]-3,3-dimethyl-butanoate

Systemtic Name: ethyl 4-[4-(3-azanylpropoxy)-3-bromanyl-5-fluoranyl-phenyl]-3,3-dimethyl-butanoate Openeye Name: ethyl 4-[4-(3-aminopropoxy)-3-bromo-5-fluoro-phenyl]-3,3-dimethyl-butanoate CAS Name: 4-[4-(3-aminopropoxy)-3-bromo-5-fluorophenyl]-3,3-dimethylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-aminopropoxy)-3-bromo-5-fluorophenyl]-3,3-dimethylbutanoate Traditional Name: 4-[4-(3-aminopropoxy)-3-bromo-5-fluoro-phenyl]-3,3-dimethyl-butyric acid ethyl ester Formula: C17H25BrFNO3 MolecularWeight: 390.287703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)CC1=CC(=C(C(=C1)Br)OCCCN)F

Isomeric SMILES

CCOC(=O)CC(C)(C)CC1=CC(=C(C(=C1)Br)OCCCN)F

InChI

InChI=1S/C17H25BrFNO3/c1-4-22-15(21)11-17(2,3)10-12-8-13(18)16(14(19)9-12)23-7-5-6-20/h8-9H,4-7,10-11,20H2,1-3H3