5-(azepan-1-ylcarbonyl)-4-(3-chlorophenyl)-2,6-dimethyl-pyridine-3-carboxylic acid

Systemtic Name: 5-(azepan-1-ylcarbonyl)-4-(3-chlorophenyl)-2,6-dimethyl-pyridine-3-carboxylic acid Openeye Name: 5-(azepane-1-carbonyl)-4-(3-chlorophenyl)-2,6-dimethyl-pyridine-3-carboxylic acid CAS Name: 5-[1-azepanyl(oxo)methyl]-4-(3-chlorophenyl)-2,6-dimethyl-3-pyridinecarboxylic acid IUPAC Name: 5-(azepane-1-carbonyl)-4-(3-chlorophenyl)-2,6-dimethylpyridine-3-carboxylic acid Traditional Name: 5-(azepane-1-carbonyl)-4-(3-chlorophenyl)-2,6-dimethyl-nicotinic acid Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)N2CCCCCC2)C3=CC(=CC=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)N2CCCCCC2)C3=CC(=CC=C3)Cl)C(=O)O

InChI

InChI=1S/C21H23ClN2O3/c1-13-17(20(25)24-10-5-3-4-6-11-24)19(15-8-7-9-16(22)12-15)18(21(26)27)14(2)23-13/h7-9,12H,3-6,10-11H2,1-2H3,(H,26,27)