3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-3-(2-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-3-(2-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(2-benzyloxyphenyl)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-propanoic acid CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-3-(2-phenylmethoxyphenyl)propanoic acid IUPAC Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-3-(2-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(2-benzoxyphenyl)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-propionic acid Formula: C28H30O7S MolecularWeight: 510.5986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C(CC(=O)O)C2=CC=CC=C2OCC3=CC=CC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C(CC(=O)O)C2=CC=CC=C2OCC3=CC=CC=C3)OC4CCCC4

InChI

InChI=1S/C28H30O7S/c1-33-25-16-15-22(17-26(25)35-21-11-5-6-12-21)36(31,32)27(18-28(29)30)23-13-7-8-14-24(23)34-19-20-9-3-2-4-10-20/h2-4,7-10,13-17,21,27H,5-6,11-12,18-19H2,1H3,(H,29,30)