2-[4-[2-[(2,6-dimethoxypyridin-3-yl)-oxidanyl-methyl]-5-phenyl-pentyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-[(2,6-dimethoxypyridin-3-yl)-oxidanyl-methyl]-5-phenyl-pentyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-[(2,6-dimethoxy-3-pyridyl)-hydroxy-methyl]-5-phenyl-pentyl]phenyl]acetic acid CAS Name: 2-[4-[2-[(2,6-dimethoxy-3-pyridinyl)-hydroxymethyl]-5-phenylpentyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-[(2,6-dimethoxypyridin-3-yl)-hydroxymethyl]-5-phenylpentyl]phenyl]acetic acid Traditional Name: 2-[4-[2-[(2,6-dimethoxy-3-pyridyl)-hydroxy-methyl]-5-phenyl-pentyl]phenyl]acetic acid Formula: C27H31NO5 MolecularWeight: 449.53874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(C(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)CC(=O)O)O)OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(C(CCCC2=CC=CC=C2)CC3=CC=C(C=C3)CC(=O)O)O)OC

InChI

InChI=1S/C27H31NO5/c1-32-24-16-15-23(27(28-24)33-2)26(31)22(10-6-9-19-7-4-3-5-8-19)17-20-11-13-21(14-12-20)18-25(29)30/h3-5,7-8,11-16,22,26,31H,6,9-10,17-18H2,1-2H3,(H,29,30)