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

Systemtic Name: 4-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-phenyl-pentyl]pyrrol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]pyrrol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]-3-pyrrolyl]-4-oxobutanoic acid IUPAC Name: 4-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]pyrrol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]pyrrol-3-yl]-4-keto-butyric acid Formula: C29H35NO6 MolecularWeight: 493.5913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35NO6/c1-20-26(35-2)16-24(17-27(20)36-3)29(34)23(11-7-10-21-8-5-4-6-9-21)19-30-15-14-22(18-30)25(31)12-13-28(32)33/h4-6,8-9,14-18,23,29,34H,7,10-13,19H2,1-3H3,(H,32,33)