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

Systemtic Name: 5-[2-(5-bromanyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]pyridine-3-carboxylic acid Openeye Name: 5-[2-(2-benzyloxy-5-bromo-phenyl)cyclopenten-1-yl]pyridine-3-carboxylic acid CAS Name: 5-[2-(5-bromo-2-phenylmethoxyphenyl)-1-cyclopentenyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[2-(5-bromo-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine-3-carboxylic acid Traditional Name: 5-[2-(2-benzoxy-5-bromo-phenyl)cyclopenten-1-yl]nicotinic acid Formula: C24H20BrNO3 MolecularWeight: 450.3245

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=CC(=CN=C4)C(=O)O

Isomeric SMILES

C1CC(=C(C1)C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C4=CC(=CN=C4)C(=O)O

InChI

InChI=1S/C24H20BrNO3/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/h1-3,5-6,9-14H,4,7-8,15H2,(H,27,28)