2-(ethoxymethyl)-4-(3-iodanylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-(ethoxymethyl)-4-(3-iodanylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(ethoxymethyl)-4-(3-iodophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(ethoxymethyl)-4-(3-iodophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(ethoxymethyl)-4-(3-iodophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(ethoxymethyl)-4-(3-iodophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H18INO5 MolecularWeight: 443.23299

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)I)C(=O)O

Isomeric SMILES

CCOCC1=C(C(C(=C(N1)C)C(=O)O)C2=CC(=CC=C2)I)C(=O)O

InChI

InChI=1S/C17H18INO5/c1-3-24-8-12-15(17(22)23)14(10-5-4-6-11(18)7-10)13(16(20)21)9(2)19-12/h4-7,14,19H,3,8H2,1-2H3,(H,20,21)(H,22,23)