5-[2-[5-bromanyl-2-(cyclohexylmethoxy)phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-[2-[5-bromanyl-2-(cyclohexylmethoxy)phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-[2-[5-bromo-2-(cyclohexylmethoxy)phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid CAS Name: 5-[2-[5-bromo-2-(cyclohexylmethoxy)phenyl]-1-cyclopentenyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[2-[5-bromo-2-(cyclohexylmethoxy)phenyl]cyclopenten-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-[2-[5-bromo-2-(cyclohexylmethoxy)phenyl]cyclopenten-1-yl]nicotinic acid Formula: C24H26BrNO3 MolecularWeight: 456.37214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC2=C(C=C(C=C2)Br)C3=C(CCC3)C4=CC(=CN=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)COC2=C(C=C(C=C2)Br)C3=C(CCC3)C4=CC(=CN=C4)C(=O)O

InChI

InChI=1S/C24H26BrNO3/c25-19-9-10-23(29-15-16-5-2-1-3-6-16)22(12-19)21-8-4-7-20(21)17-11-18(24(27)28)14-26-13-17/h9-14,16H,1-8,15H2,(H,27,28)