6-[2-[2-chloranyl-5-(2-methylpropoxy)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid

Systemtic Name: 6-[2-[2-chloranyl-5-(2-methylpropoxy)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid Openeye Name: 6-[2-(2-chloro-5-isobutoxy-phenyl)cyclopenten-1-yl]pyridine-2-carboxylic acid CAS Name: 6-[2-[2-chloro-5-(2-methylpropoxy)phenyl]-1-cyclopentenyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[2-[2-chloro-5-(2-methylpropoxy)phenyl]cyclopenten-1-yl]pyridine-2-carboxylic acid Traditional Name: 6-[2-(2-chloro-5-isobutoxy-phenyl)cyclopenten-1-yl]picolinic acid Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC(=C(C=C1)Cl)C2=C(CCC2)C3=NC(=CC=C3)C(=O)O

Isomeric SMILES

CC(C)COC1=CC(=C(C=C1)Cl)C2=C(CCC2)C3=NC(=CC=C3)C(=O)O

InChI

InChI=1S/C21H22ClNO3/c1-13(2)12-26-14-9-10-18(22)17(11-14)15-5-3-6-16(15)19-7-4-8-20(23-19)21(24)25/h4,7-11,13H,3,5-6,12H2,1-2H3,(H,24,25)