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

Systemtic Name: 4-(3-carboxyphenyl)-2-(hexoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: 4-(3-carboxyphenyl)-2-(hexoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-carboxyphenyl)-2-(hexoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate IUPAC Name: 4-(3-carboxyphenyl)-2-(hexoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-carboxyphenyl)-2-(hexoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Formula: C22H25NO7-2 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO7/c1-3-4-5-6-10-30-12-16-19(22(28)29)18(17(21(26)27)13(2)23-16)14-8-7-9-15(11-14)20(24)25/h7-9,11,18,23H,3-6,10,12H2,1-2H3,(H,24,25)(H,26,27)(H,28,29)/p-2