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

Systemtic Name: 2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-thiophen-2-yl-pentyl]pyrrol-3-yl]ethanoic acid Openeye Name: 2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-(2-thienyl)pentyl]pyrrol-3-yl]acetic acid CAS Name: 2-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-thiophen-2-ylpentyl]-3-pyrrolyl]acetic acid IUPAC Name: 2-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-thiophen-2-ylpentyl]pyrrol-3-yl]acetic acid Traditional Name: 2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-(2-thienyl)pentyl]pyrrol-3-yl]acetic acid Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO5S/c1-17-22(30-2)13-20(14-23(17)31-3)25(29)19(6-4-7-21-8-5-11-32-21)16-26-10-9-18(15-26)12-24(27)28/h5,8-11,13-15,19,25,29H,4,6-7,12,16H2,1-3H3,(H,27,28)