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

Systemtic Name: 3-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-phenyl-pentyl]pyrrol-3-yl]propanoic acid Openeye Name: 3-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]pyrrol-3-yl]propanoic acid CAS Name: 3-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]-3-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]pyrrol-3-yl]propanoic acid Traditional Name: 3-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]pyrrol-3-yl]propionic acid Formula: C28H35NO5 MolecularWeight: 465.5812

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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)CCC(=O)O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO5/c1-20-25(33-2)16-24(17-26(20)34-3)28(32)23(11-7-10-21-8-5-4-6-9-21)19-29-15-14-22(18-29)12-13-27(30)31/h4-6,8-9,14-18,23,28,32H,7,10-13,19H2,1-3H3,(H,30,31)