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

Systemtic Name: 4-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-thiophen-3-yl-pentyl]pyrrol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-(3-thienyl)pentyl]pyrrol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-(3-thiophenyl)pentyl]-3-pyrrolyl]-4-oxobutanoic acid IUPAC Name: 4-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-thiophen-3-ylpentyl]pyrrol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-(3-thienyl)pentyl]pyrrol-3-yl]-4-keto-butyric acid Formula: C27H33NO6S MolecularWeight: 499.61902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(C(CCCC2=CSC=C2)CN3C=CC(=C3)C(=O)CCC(=O)O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(C(CCCC2=CSC=C2)CN3C=CC(=C3)C(=O)CCC(=O)O)O)OC

InChI

InChI=1S/C27H33NO6S/c1-18-24(33-2)13-22(14-25(18)34-3)27(32)21(6-4-5-19-10-12-35-17-19)16-28-11-9-20(15-28)23(29)7-8-26(30)31/h9-15,17,21,27,32H,4-8,16H2,1-3H3,(H,30,31)