ethyl 3-[2-[4-(4-bromanyl-2-ethyl-5-phenylmethoxy-phenoxy)butoxy]phenyl]propanoate

Systemtic Name: ethyl 3-[2-[4-(4-bromanyl-2-ethyl-5-phenylmethoxy-phenoxy)butoxy]phenyl]propanoate Openeye Name: ethyl 3-[2-[4-(5-benzyloxy-4-bromo-2-ethyl-phenoxy)butoxy]phenyl]propanoate CAS Name: 3-[2-[4-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)butoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[4-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)butoxy]phenyl]propanoate Traditional Name: 3-[2-[4-(5-benzoxy-4-bromo-2-ethyl-phenoxy)butoxy]phenyl]propionic acid ethyl ester Formula: C30H35BrO5 MolecularWeight: 555.4999

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OCCCCOC2=CC=CC=C2CCC(=O)OCC)OCC3=CC=CC=C3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1OCCCCOC2=CC=CC=C2CCC(=O)OCC)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C30H35BrO5/c1-3-24-20-26(31)29(36-22-23-12-6-5-7-13-23)21-28(24)35-19-11-10-18-34-27-15-9-8-14-25(27)16-17-30(32)33-4-2/h5-9,12-15,20-21H,3-4,10-11,16-19,22H2,1-2H3