3-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-thiophen-2-yl-pentyl]pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-thiophen-2-yl-pentyl]pyrrol-3-yl]propanoic acid Openeye Name: 3-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-(2-thienyl)pentyl]pyrrol-3-yl]propanoic acid CAS Name: 3-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-thiophen-2-ylpentyl]-3-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-thiophen-2-ylpentyl]pyrrol-3-yl]propanoic acid Traditional Name: 3-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-(2-thienyl)pentyl]pyrrol-3-yl]propionic acid Formula: C26H33NO5S MolecularWeight: 471.60892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(C(CCCC2=CC=CS2)CN3C=CC(=C3)CCC(=O)O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(C(CCCC2=CC=CS2)CN3C=CC(=C3)CCC(=O)O)O)OC

InChI

InChI=1S/C26H33NO5S/c1-18-23(31-2)14-21(15-24(18)32-3)26(30)20(6-4-7-22-8-5-13-33-22)17-27-12-11-19(16-27)9-10-25(28)29/h5,8,11-16,20,26,30H,4,6-7,9-10,17H2,1-3H3,(H,28,29)