methyl 2-[2-bromanyl-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethanoate

Systemtic Name: methyl 2-[2-bromanyl-6-ethyl-3,5-bis(phenylmethoxy)phenyl]ethanoate Openeye Name: methyl 2-(3,5-dibenzyloxy-2-bromo-6-ethyl-phenyl)acetate CAS Name: 2-[2-bromo-6-ethyl-3,5-bis(phenylmethoxy)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-bromo-6-ethyl-3,5-bis(phenylmethoxy)phenyl]acetate Traditional Name: 2-(3,5-dibenzoxy-2-bromo-6-ethyl-phenyl)acetic acid methyl ester Formula: C25H25BrO4 MolecularWeight: 469.3676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)Br)CC(=O)OC

Isomeric SMILES

CCC1=C(C(=C(C=C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)Br)CC(=O)OC

InChI

InChI=1S/C25H25BrO4/c1-3-20-21(14-24(27)28-2)25(26)23(30-17-19-12-8-5-9-13-19)15-22(20)29-16-18-10-6-4-7-11-18/h4-13,15H,3,14,16-17H2,1-2H3