5-chloranyl-2-[4-chloranyl-3-[(1-oxidanylcycloheptyl)methylcarbamoyl]phenyl]pyridine-3-carboxylic acid

Systemtic Name: 5-chloranyl-2-[4-chloranyl-3-[(1-oxidanylcycloheptyl)methylcarbamoyl]phenyl]pyridine-3-carboxylic acid Openeye Name: 5-chloro-2-[4-chloro-3-[(1-hydroxycycloheptyl)methylcarbamoyl]phenyl]pyridine-3-carboxylic acid CAS Name: 5-chloro-2-[4-chloro-3-[[(1-hydroxycycloheptyl)methylamino]-oxomethyl]phenyl]-3-pyridinecarboxylic acid IUPAC Name: 5-chloro-2-[4-chloro-3-[(1-hydroxycycloheptyl)methylcarbamoyl]phenyl]pyridine-3-carboxylic acid Traditional Name: 5-chloro-2-[4-chloro-3-[(1-hydroxycycloheptyl)methylcarbamoyl]phenyl]nicotinic acid Formula: C21H22Cl2N2O4 MolecularWeight: 437.31638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)C3=NC=C(C=C3C(=O)O)Cl)Cl)O

Isomeric SMILES

C1CCCC(CC1)(CNC(=O)C2=C(C=CC(=C2)C3=NC=C(C=C3C(=O)O)Cl)Cl)O

InChI

InChI=1S/C21H22Cl2N2O4/c22-14-10-16(20(27)28)18(24-11-14)13-5-6-17(23)15(9-13)19(26)25-12-21(29)7-3-1-2-4-8-21/h5-6,9-11,29H,1-4,7-8,12H2,(H,25,26)(H,27,28)