2-[2-(5-bromanyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]pyridine-4-carboxylic acid

Systemtic Name: 2-[2-(5-bromanyl-2-phenylmethoxy-phenyl)cyclopenten-1-yl]pyridine-4-carboxylic acid Openeye Name: 2-[2-(2-benzyloxy-5-bromo-phenyl)cyclopenten-1-yl]pyridine-4-carboxylic acid CAS Name: 2-[2-(5-bromo-2-phenylmethoxyphenyl)-1-cyclopentenyl]-4-pyridinecarboxylic acid IUPAC Name: 2-[2-(5-bromo-2-phenylmethoxyphenyl)cyclopenten-1-yl]pyridine-4-carboxylic acid Traditional Name: 2-[2-(2-benzoxy-5-bromo-phenyl)cyclopenten-1-yl]isonicotinic acid Formula: C24H20BrNO3 MolecularWeight: 450.3245

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)C2=NC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(=C(C1)C2=NC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C24H20BrNO3/c25-18-9-10-23(29-15-16-5-2-1-3-6-16)21(14-18)19-7-4-8-20(19)22-13-17(24(27)28)11-12-26-22/h1-3,5-6,9-14H,4,7-8,15H2,(H,27,28)