6-azanyl-2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]methylamino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]methylamino]hexanoic acid Openeye Name: 6-amino-2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)phenyl]methylamino]hexanoic acid CAS Name: 6-amino-2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methylamino]hexanoic acid IUPAC Name: 6-amino-2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]methylamino]hexanoic acid Traditional Name: 6-amino-2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzyl]amino]hexanoic acid Formula: C22H28Br2N2O4 MolecularWeight: 544.27672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)CNC(CCCCN)C(=O)O)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)CNC(CCCCN)C(=O)O)Br)O

InChI

InChI=1S/C22H28Br2N2O4/c1-13(2)16-11-15(6-7-20(16)27)30-21-17(23)9-14(10-18(21)24)12-26-19(22(28)29)5-3-4-8-25/h6-7,9-11,13,19,26-27H,3-5,8,12,25H2,1-2H3,(H,28,29)