ethyl 2-[4-bromanyl-2-[[4-(4-phenylbutoxy)phenyl]carbonylamino]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-bromanyl-2-[[4-(4-phenylbutoxy)phenyl]carbonylamino]phenoxy]ethanoate Openeye Name: ethyl 2-[4-bromo-2-[[4-(4-phenylbutoxy)benzoyl]amino]phenoxy]acetate CAS Name: 2-[4-bromo-2-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-bromo-2-[[4-(4-phenylbutoxy)benzoyl]amino]phenoxy]acetate Traditional Name: 2-[4-bromo-2-[[4-(4-phenylbutoxy)benzoyl]amino]phenoxy]acetic acid ethyl ester Formula: C27H28BrNO5 MolecularWeight: 526.41892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)Br)NC(=O)C2=CC=C(C=C2)OCCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)Br)NC(=O)C2=CC=C(C=C2)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C27H28BrNO5/c1-2-32-26(30)19-34-25-16-13-22(28)18-24(25)29-27(31)21-11-14-23(15-12-21)33-17-7-6-10-20-8-4-3-5-9-20/h3-5,8-9,11-16,18H,2,6-7,10,17,19H2,1H3,(H,29,31)