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

Systemtic Name: 3-[4-chloranyl-3-[(1-oxidanylcycloheptyl)methylcarbamoyl]phenyl]pyridine-2-carboxylic acid Openeye Name: 3-[4-chloro-3-[(1-hydroxycycloheptyl)methylcarbamoyl]phenyl]pyridine-2-carboxylic acid CAS Name: 3-[4-chloro-3-[[(1-hydroxycycloheptyl)methylamino]-oxomethyl]phenyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[4-chloro-3-[(1-hydroxycycloheptyl)methylcarbamoyl]phenyl]pyridine-2-carboxylic acid Traditional Name: 3-[4-chloro-3-[(1-hydroxycycloheptyl)methylcarbamoyl]phenyl]picolinic acid Formula: C21H23ClN2O4 MolecularWeight: 402.87132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4/c22-17-8-7-14(15-6-5-11-23-18(15)20(26)27)12-16(17)19(25)24-13-21(28)9-3-1-2-4-10-21/h5-8,11-12,28H,1-4,9-10,13H2,(H,24,25)(H,26,27)