3-chloranyl-6-[4-chloranyl-3-[(1-oxidanylcycloheptyl)methylcarbamoyl]phenyl]pyridine-2-carboxylic acid

Systemtic Name: 3-chloranyl-6-[4-chloranyl-3-[(1-oxidanylcycloheptyl)methylcarbamoyl]phenyl]pyridine-2-carboxylic acid Openeye Name: 3-chloro-6-[4-chloro-3-[(1-hydroxycycloheptyl)methylcarbamoyl]phenyl]pyridine-2-carboxylic acid CAS Name: 3-chloro-6-[4-chloro-3-[[(1-hydroxycycloheptyl)methylamino]-oxomethyl]phenyl]-2-pyridinecarboxylic acid IUPAC Name: 3-chloro-6-[4-chloro-3-[(1-hydroxycycloheptyl)methylcarbamoyl]phenyl]pyridine-2-carboxylic acid Traditional Name: 3-chloro-6-[4-chloro-3-[(1-hydroxycycloheptyl)methylcarbamoyl]phenyl]picolinic 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=C3)Cl)C(=O)O)Cl)O

Isomeric SMILES

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

InChI

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