methyl 3-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methylamino]propanoate

Systemtic Name: methyl 3-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methylamino]propanoate Openeye Name: methyl 3-[(3,5-dibromo-4-methoxy-phenyl)methylamino]propanoate CAS Name: 3-[(3,5-dibromo-4-methoxyphenyl)methylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[(3,5-dibromo-4-methoxyphenyl)methylamino]propanoate Traditional Name: 3-[(3,5-dibromo-4-methoxy-benzyl)amino]propionic acid methyl ester Formula: C12H15Br2NO3 MolecularWeight: 381.0604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)CNCCC(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1Br)CNCCC(=O)OC)Br

InChI

InChI=1S/C12H15Br2NO3/c1-17-11(16)3-4-15-7-8-5-9(13)12(18-2)10(14)6-8/h5-6,15H,3-4,7H2,1-2H3