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

Systemtic Name: 3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-3-(3-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(3-benzyloxyphenyl)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-propanoic acid CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-3-(3-phenylmethoxyphenyl)propanoic acid IUPAC Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonyl-3-(3-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(3-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=C2)OCC3=CC=CC=C3)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C(CC(=O)O)C2=CC(=CC=C2)OCC3=CC=CC=C3)OC4CCCC4

InChI

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