6-[2-[2-[(4-bromophenyl)methoxy]-5-chloranyl-phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid

Systemtic Name: 6-[2-[2-[(4-bromophenyl)methoxy]-5-chloranyl-phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid Openeye Name: 6-[2-[2-[(4-bromophenyl)methoxy]-5-chloro-phenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid CAS Name: 6-[2-[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]-1-cyclopentenyl]-2-pyrazinecarboxylic acid IUPAC Name: 6-[2-[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]cyclopenten-1-yl]pyrazine-2-carboxylic acid Traditional Name: 6-[2-[2-(4-bromobenzyl)oxy-5-chloro-phenyl]cyclopenten-1-yl]pyrazinoic acid Formula: C23H18BrClN2O3 MolecularWeight: 485.75762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C1)C2=CN=CC(=N2)C(=O)O)C3=C(C=CC(=C3)Cl)OCC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(=C(C1)C2=CN=CC(=N2)C(=O)O)C3=C(C=CC(=C3)Cl)OCC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H18BrClN2O3/c24-15-6-4-14(5-7-15)13-30-22-9-8-16(25)10-19(22)17-2-1-3-18(17)20-11-26-12-21(27-20)23(28)29/h4-12H,1-3,13H2,(H,28,29)