2-(acetyloxymethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-(acetyloxymethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(acetoxymethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(acetyloxymethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(acetyloxymethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(acetoxymethyl)-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO6/c1-9-13(16(20)21)14(11-6-4-3-5-7-11)15(17(22)23)12(18-9)8-24-10(2)19/h3-7,14,18H,8H2,1-2H3,(H,20,21)(H,22,23)