5-chloranyl-2-[4-chloranyl-3-(2-cyclohexylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid

Systemtic Name: 5-chloranyl-2-[4-chloranyl-3-(2-cyclohexylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid Openeye Name: 5-chloro-2-[4-chloro-3-(2-cyclohexylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid CAS Name: 5-chloro-2-[4-chloro-3-[(2-cyclohexylethylamino)-oxomethyl]phenyl]-3-pyridinecarboxylic acid IUPAC Name: 5-chloro-2-[4-chloro-3-(2-cyclohexylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid Traditional Name: 5-chloro-2-[4-chloro-3-(2-cyclohexylethylcarbamoyl)phenyl]nicotinic acid Formula: C21H22Cl2N2O3 MolecularWeight: 421.31698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCNC(=O)C2=C(C=CC(=C2)C3=NC=C(C=C3C(=O)O)Cl)Cl

Isomeric SMILES

C1CCC(CC1)CCNC(=O)C2=C(C=CC(=C2)C3=NC=C(C=C3C(=O)O)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O3/c22-15-11-17(21(27)28)19(25-12-15)14-6-7-18(23)16(10-14)20(26)24-9-8-13-4-2-1-3-5-13/h6-7,10-13H,1-5,8-9H2,(H,24,26)(H,27,28)