methyl 2-[4-(3-bromanylpropylamino)-3-chloranyl-phenyl]ethanoate

Systemtic Name: methyl 2-[4-(3-bromanylpropylamino)-3-chloranyl-phenyl]ethanoate Openeye Name: methyl 2-[4-(3-bromopropylamino)-3-chloro-phenyl]acetate CAS Name: 2-[4-(3-bromopropylamino)-3-chlorophenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-bromopropylamino)-3-chlorophenyl]acetate Traditional Name: 2-[4-(3-bromopropylamino)-3-chloro-phenyl]acetic acid methyl ester Formula: C12H15BrClNO2 MolecularWeight: 320.61

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=C(C=C1)NCCCBr)Cl

Isomeric SMILES

COC(=O)CC1=CC(=C(C=C1)NCCCBr)Cl

InChI

InChI=1S/C12H15BrClNO2/c1-17-12(16)8-9-3-4-11(10(14)7-9)15-6-2-5-13/h3-4,7,15H,2,5-6,8H2,1H3