methyl 2-bromanyl-2-[4-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]phenyl]ethanoate

Systemtic Name: methyl 2-bromanyl-2-[4-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]phenyl]ethanoate Openeye Name: methyl 2-bromo-2-[4-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]phenyl]acetate CAS Name: 2-bromo-2-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-bromo-2-[4-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]acetate Traditional Name: 2-bromo-2-[4-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]phenyl]acetic acid methyl ester Formula: C27H29BrO5 MolecularWeight: 513.42016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCOC3=CC=C(C=C3)C(C(=O)OC)Br

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCOC3=CC=C(C=C3)C(C(=O)OC)Br

InChI

InChI=1S/C27H29BrO5/c1-3-8-21-19-24(33-23-9-5-4-6-10-23)15-16-25(21)32-18-7-17-31-22-13-11-20(12-14-22)26(28)27(29)30-2/h4-6,9-16,19,26H,3,7-8,17-18H2,1-2H3