5-methyl-4-[(4-pyrimidin-2-ylphenoxy)methyl]furan-2-carboxylic acid

Systemtic Name: 5-methyl-4-[(4-pyrimidin-2-ylphenoxy)methyl]furan-2-carboxylic acid Openeye Name: 5-methyl-4-[(4-pyrimidin-2-ylphenoxy)methyl]furan-2-carboxylic acid CAS Name: 5-methyl-4-[[4-(2-pyrimidinyl)phenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-methyl-4-[(4-pyrimidin-2-ylphenoxy)methyl]furan-2-carboxylic acid Traditional Name: 5-methyl-4-[[4-(2-pyrimidyl)phenoxy]methyl]-2-furoic acid Formula: C17H14N2O4 MolecularWeight: 310.30406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)O)COC2=CC=C(C=C2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C=C(O1)C(=O)O)COC2=CC=C(C=C2)C3=NC=CC=N3

InChI

InChI=1S/C17H14N2O4/c1-11-13(9-15(23-11)17(20)21)10-22-14-5-3-12(4-6-14)16-18-7-2-8-19-16/h2-9H,10H2,1H3,(H,20,21)