(2E)-4-(3-methoxy-4-oxidanyl-phenyl)-2-[(1-methyl-2H-pyridin-5-yl)methylidene]-4-oxidanyl-butanoic acid

Systemtic Name: (2E)-4-(3-methoxy-4-oxidanyl-phenyl)-2-[(1-methyl-2H-pyridin-5-yl)methylidene]-4-oxidanyl-butanoic acid Openeye Name: (2E)-4-hydroxy-4-(4-hydroxy-3-methoxy-phenyl)-2-[(1-methyl-2H-pyridin-5-yl)methylene]butanoic acid CAS Name: (2E)-4-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-2-[(1-methyl-2H-pyridin-5-yl)methylidene]butanoic acid IUPAC Name: (2E)-4-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-2-[(1-methyl-2H-pyridin-5-yl)methylidene]butanoic acid Traditional Name: (E)-2-[2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)ethyl]-3-(1-methyl-2H-pyridin-5-yl)acrylic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=CC(=C1)C=C(CC(C2=CC(=C(C=C2)O)OC)O)C(=O)O

Isomeric SMILES

CN1CC=CC(=C1)/C=C(\CC(C2=CC(=C(C=C2)O)OC)O)/C(=O)O

InChI

InChI=1S/C18H21NO5/c1-19-7-3-4-12(11-19)8-14(18(22)23)9-16(21)13-5-6-15(20)17(10-13)24-2/h3-6,8,10-11,16,20-21H,7,9H2,1-2H3,(H,22,23)/b14-8+