3-(dimethylamino)propyl 3-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]benzoate

Systemtic Name: 3-(dimethylamino)propyl 3-bromanyl-4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]benzoate Openeye Name: 3-(dimethylamino)propyl 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-bromo-benzoate CAS Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-bromobenzoic acid 3-(dimethylamino)propyl ester IUPAC Name: 3-(dimethylamino)propyl 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3-bromobenzoate Traditional Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-3-bromo-benzoic acid 3-(dimethylamino)propyl ester Formula: C26H34BrNO6 MolecularWeight: 536.45526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C=C2)C(=O)OCCCN(C)C)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=C(C=C(C=C2)C(=O)OCCCN(C)C)Br

InChI

InChI=1S/C26H34BrNO6/c1-5-8-21-23(12-10-20(18(2)29)25(21)30)32-15-7-16-33-24-11-9-19(17-22(24)27)26(31)34-14-6-13-28(3)4/h9-12,17,30H,5-8,13-16H2,1-4H3