4-(3-fluoranyl-4-methoxy-phenyl)-6-methyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)-6-methyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid Openeye Name: 4-(3-fluoro-4-methoxy-phenyl)-6-methyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid CAS Name: 4-(3-fluoro-4-methoxyphenyl)-6-methyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid IUPAC Name: 4-(3-fluoro-4-methoxyphenyl)-6-methyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid Traditional Name: 4-(3-fluoro-4-methoxy-phenyl)-6-methyl-1,4-dihydropyridine-2,3,5-tricarboxylic acid Formula: C16H14FNO7 MolecularWeight: 351.283263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C(=O)O)C(=O)O)C2=CC(=C(C=C2)OC)F)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C(=O)O)C(=O)O)C2=CC(=C(C=C2)OC)F)C(=O)O

InChI

InChI=1S/C16H14FNO7/c1-6-10(14(19)20)11(7-3-4-9(25-2)8(17)5-7)12(15(21)22)13(18-6)16(23)24/h3-5,11,18H,1-2H3,(H,19,20)(H,21,22)(H,23,24)