2-(methoxymethyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-(methoxymethyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(methoxymethyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(methoxymethyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(methoxymethyl)-6-methyl-4-(4-methylsulfonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(4-mesylphenyl)-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H19NO7S MolecularWeight: 381.40026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)COC)C(=O)O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)COC)C(=O)O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C17H19NO7S/c1-9-13(16(19)20)14(15(17(21)22)12(18-9)8-25-2)10-4-6-11(7-5-10)26(3,23)24/h4-7,14,18H,8H2,1-3H3,(H,19,20)(H,21,22)