3-[4-[(3-azanyl-5-methyl-phenyl)methoxy]-3,5-bis(bromanyl)phenyl]propanoic acid

Systemtic Name: 3-[4-[(3-azanyl-5-methyl-phenyl)methoxy]-3,5-bis(bromanyl)phenyl]propanoic acid Openeye Name: 3-[4-[(3-amino-5-methyl-phenyl)methoxy]-3,5-dibromo-phenyl]propanoic acid CAS Name: 3-[4-[(3-amino-5-methylphenyl)methoxy]-3,5-dibromophenyl]propanoic acid IUPAC Name: 3-[4-[(3-amino-5-methylphenyl)methoxy]-3,5-dibromophenyl]propanoic acid Traditional Name: 3-[4-(3-amino-5-methyl-benzyl)oxy-3,5-dibromo-phenyl]propionic acid Formula: C17H17Br2NO3 MolecularWeight: 443.12978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N)COC2=C(C=C(C=C2Br)CCC(=O)O)Br

Isomeric SMILES

CC1=CC(=CC(=C1)N)COC2=C(C=C(C=C2Br)CCC(=O)O)Br

InChI

InChI=1S/C17H17Br2NO3/c1-10-4-12(6-13(20)5-10)9-23-17-14(18)7-11(8-15(17)19)2-3-16(21)22/h4-8H,2-3,9,20H2,1H3,(H,21,22)