methyl 4-[3-(5-methylsulfonyl-2-phenylmethoxy-phenyl)propyl]benzoate

Systemtic Name: methyl 4-[3-(5-methylsulfonyl-2-phenylmethoxy-phenyl)propyl]benzoate Openeye Name: methyl 4-[3-(2-benzyloxy-5-methylsulfonyl-phenyl)propyl]benzoate CAS Name: 4-[3-(5-methylsulfonyl-2-phenylmethoxyphenyl)propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(5-methylsulfonyl-2-phenylmethoxyphenyl)propyl]benzoate Traditional Name: 4-[3-(2-benzoxy-5-mesyl-phenyl)propyl]benzoic acid methyl ester Formula: C25H26O5S MolecularWeight: 438.53594

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCC2=C(C=CC(=C2)S(=O)(=O)C)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCC2=C(C=CC(=C2)S(=O)(=O)C)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26O5S/c1-29-25(26)21-13-11-19(12-14-21)9-6-10-22-17-23(31(2,27)28)15-16-24(22)30-18-20-7-4-3-5-8-20/h3-5,7-8,11-17H,6,9-10,18H2,1-2H3