4-(3-chlorophenyl)-2-(hexoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: 4-(3-chlorophenyl)-2-(hexoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: 4-(3-chlorophenyl)-2-(hexoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-chlorophenyl)-2-(hexoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate IUPAC Name: 4-(3-chlorophenyl)-2-(hexoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-chlorophenyl)-2-(hexoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Formula: C21H24ClNO5-2 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC1=C(C(C(=C(N1)C)C(=O)[O-])C2=CC(=CC=C2)Cl)C(=O)[O-]

Isomeric SMILES

CCCCCCOCC1=C(C(C(=C(N1)C)C(=O)[O-])C2=CC(=CC=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C21H26ClNO5/c1-3-4-5-6-10-28-12-16-19(21(26)27)18(14-8-7-9-15(22)11-14)17(20(24)25)13(2)23-16/h7-9,11,18,23H,3-6,10,12H2,1-2H3,(H,24,25)(H,26,27)/p-2