4-(2-chloranyl-3-cyano-phenyl)-5-(1H-imidazol-2-yloxycarbonyl)-1-(2-methoxyethyl)-2,6-dimethyl-4H-pyridine-3-carboxylic acid

Systemtic Name: 4-(2-chloranyl-3-cyano-phenyl)-5-(1H-imidazol-2-yloxycarbonyl)-1-(2-methoxyethyl)-2,6-dimethyl-4H-pyridine-3-carboxylic acid Openeye Name: 4-(2-chloro-3-cyano-phenyl)-5-(1H-imidazol-2-yloxycarbonyl)-1-(2-methoxyethyl)-2,6-dimethyl-4H-pyridine-3-carboxylic acid CAS Name: 4-(2-chloro-3-cyanophenyl)-5-[1H-imidazol-2-yloxy(oxo)methyl]-1-(2-methoxyethyl)-2,6-dimethyl-4H-pyridine-3-carboxylic acid IUPAC Name: 4-(2-chloro-3-cyanophenyl)-5-(1H-imidazol-2-yloxycarbonyl)-1-(2-methoxyethyl)-2,6-dimethyl-4H-pyridine-3-carboxylic acid Traditional Name: 4-(2-chloro-3-cyano-phenyl)-5-(1H-imidazol-2-yloxycarbonyl)-1-(2-methoxyethyl)-2,6-dimethyl-4H-pyridine-3-carboxylic acid Formula: C22H21ClN4O5 MolecularWeight: 456.87894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1CCOC)C)C(=O)OC2=NC=CN2)C3=CC=CC(=C3Cl)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1CCOC)C)C(=O)OC2=NC=CN2)C3=CC=CC(=C3Cl)C#N)C(=O)O

InChI

InChI=1S/C22H21ClN4O5/c1-12-16(20(28)29)18(15-6-4-5-14(11-24)19(15)23)17(13(2)27(12)9-10-31-3)21(30)32-22-25-7-8-26-22/h4-8,18H,9-10H2,1-3H3,(H,25,26)(H,28,29)