[4-(4-bromophenyl)-4-oxidanylidene-butyl] 3-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 3-methoxy-4-phenylmethoxy-benzoate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 4-benzyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-phenylmethoxybenzoic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 3-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-methoxy-benzoic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C25H23BrO5 MolecularWeight: 483.35112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCCCC(=O)C2=CC=C(C=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C25H23BrO5/c1-29-24-16-20(11-14-23(24)31-17-18-6-3-2-4-7-18)25(28)30-15-5-8-22(27)19-9-12-21(26)13-10-19/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3