2,6-diethyl-4-(4-imidazol-1-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-diethyl-4-(4-imidazol-1-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-diethyl-4-(4-imidazol-1-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-diethyl-4-[4-(1-imidazolyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-diethyl-4-(4-imidazol-1-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-diethyl-4-(4-imidazol-1-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(N1)CC)C(=O)O)C2=CC=C(C=C2)N3C=CN=C3)C(=O)O

Isomeric SMILES

CCC1=C(C(C(=C(N1)CC)C(=O)O)C2=CC=C(C=C2)N3C=CN=C3)C(=O)O

InChI

InChI=1S/C20H21N3O4/c1-3-14-17(19(24)25)16(18(20(26)27)15(4-2)22-14)12-5-7-13(8-6-12)23-10-9-21-11-23/h5-11,16,22H,3-4H2,1-2H3,(H,24,25)(H,26,27)