2-(2-azanylethoxymethyl)-4-(3-imidazol-1-ylphenyl)-6-methyl-pyridine-3,5-dicarboxylic acid

Systemtic Name: 2-(2-azanylethoxymethyl)-4-(3-imidazol-1-ylphenyl)-6-methyl-pyridine-3,5-dicarboxylic acid Openeye Name: 2-(2-aminoethoxymethyl)-4-(3-imidazol-1-ylphenyl)-6-methyl-pyridine-3,5-dicarboxylic acid CAS Name: 2-(2-aminoethoxymethyl)-4-[3-(1-imidazolyl)phenyl]-6-methylpyridine-3,5-dicarboxylic acid IUPAC Name: 2-(2-aminoethoxymethyl)-4-(3-imidazol-1-ylphenyl)-6-methylpyridine-3,5-dicarboxylic acid Traditional Name: 2-(2-aminoethoxymethyl)-4-(3-imidazol-1-ylphenyl)-6-methyl-dinicotinic acid Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1C(=O)O)C2=CC(=CC=C2)N3C=CN=C3)C(=O)O)COCCN

Isomeric SMILES

CC1=NC(=C(C(=C1C(=O)O)C2=CC(=CC=C2)N3C=CN=C3)C(=O)O)COCCN

InChI

InChI=1S/C20H20N4O5/c1-12-16(19(25)26)17(18(20(27)28)15(23-12)10-29-8-5-21)13-3-2-4-14(9-13)24-7-6-22-11-24/h2-4,6-7,9,11H,5,8,10,21H2,1H3,(H,25,26)(H,27,28)