methyl 3-[4-(3-acetamido-4-azanyl-phenoxy)-3,5-bis(bromanyl)phenyl]propanoate

Systemtic Name: methyl 3-[4-(3-acetamido-4-azanyl-phenoxy)-3,5-bis(bromanyl)phenyl]propanoate Openeye Name: methyl 3-[4-(3-acetamido-4-amino-phenoxy)-3,5-dibromo-phenyl]propanoate CAS Name: 3-[4-(3-acetamido-4-aminophenoxy)-3,5-dibromophenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(3-acetamido-4-aminophenoxy)-3,5-dibromophenyl]propanoate Traditional Name: 3-[4-(3-acetamido-4-amino-phenoxy)-3,5-dibromo-phenyl]propionic acid methyl ester Formula: C18H18Br2N2O4 MolecularWeight: 486.15452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)CCC(=O)OC)Br)N

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)CCC(=O)OC)Br)N

InChI

InChI=1S/C18H18Br2N2O4/c1-10(23)22-16-9-12(4-5-15(16)21)26-18-13(19)7-11(8-14(18)20)3-6-17(24)25-2/h4-5,7-9H,3,6,21H2,1-2H3,(H,22,23)