(2E)-2-[[2-methoxy-4,5-dimethyl-3,6-bis(oxidanyl)phenyl]methylidene]-7-pyridin-3-yl-heptanoic acid

Systemtic Name: (2E)-2-[[2-methoxy-4,5-dimethyl-3,6-bis(oxidanyl)phenyl]methylidene]-7-pyridin-3-yl-heptanoic acid Openeye Name: (2E)-2-[(2,5-dihydroxy-6-methoxy-3,4-dimethyl-phenyl)methylene]-7-(3-pyridyl)heptanoic acid CAS Name: (2E)-2-[(2,5-dihydroxy-6-methoxy-3,4-dimethylphenyl)methylidene]-7-(3-pyridinyl)heptanoic acid IUPAC Name: (2E)-2-[(2,5-dihydroxy-6-methoxy-3,4-dimethylphenyl)methylidene]-7-pyridin-3-ylheptanoic acid Traditional Name: (E)-3-(2,5-dihydroxy-6-methoxy-3,4-dimethyl-phenyl)-2-[5-(3-pyridyl)pentyl]acrylic acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1O)C=C(CCCCCC2=CN=CC=C2)C(=O)O)OC)O)C

Isomeric SMILES

CC1=C(C(=C(C(=C1O)/C=C(\CCCCCC2=CN=CC=C2)/C(=O)O)OC)O)C

InChI

InChI=1S/C22H27NO5/c1-14-15(2)20(25)21(28-3)18(19(14)24)12-17(22(26)27)10-6-4-5-8-16-9-7-11-23-13-16/h7,9,11-13,24-25H,4-6,8,10H2,1-3H3,(H,26,27)/b17-12+