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

Systemtic Name: 2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-phenyl-pentyl]pyrrol-3-yl]ethanoic acid Openeye Name: 2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]pyrrol-3-yl]acetic acid CAS Name: 2-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]-3-pyrrolyl]acetic acid IUPAC Name: 2-[1-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-phenylpentyl]pyrrol-3-yl]acetic acid Traditional Name: 2-[1-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-phenyl-pentyl]pyrrol-3-yl]acetic acid Formula: C27H33NO5 MolecularWeight: 451.55462

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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)CC(=O)O)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO5/c1-19-24(32-2)15-23(16-25(19)33-3)27(31)22(11-7-10-20-8-5-4-6-9-20)18-28-13-12-21(17-28)14-26(29)30/h4-6,8-9,12-13,15-17,22,27,31H,7,10-11,14,18H2,1-3H3,(H,29,30)