5-ethoxycarbonyl-6-(hydroxymethyl)-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-ethoxycarbonyl-6-(hydroxymethyl)-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-ethoxycarbonyl-6-(hydroxymethyl)-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-ethoxycarbonyl-6-(hydroxymethyl)-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-ethoxycarbonyl-6-(hydroxymethyl)-2-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-carbethoxy-2-methyl-6-methylol-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C18H18F3NO5 MolecularWeight: 385.33443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)O)C)CO

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)O)C)CO

InChI

InChI=1S/C18H18F3NO5/c1-3-27-17(26)15-12(8-23)22-9(2)13(16(24)25)14(15)10-6-4-5-7-11(10)18(19,20)21/h4-7,14,22-23H,3,8H2,1-2H3,(H,24,25)