4-[2-(6-bromanyl-7-methoxy-spiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)ethynyl]pyridine

Systemtic Name: 4-[2-(6-bromanyl-7-methoxy-spiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)ethynyl]pyridine Openeye Name: 4-[2-(6-bromo-7-methoxy-spiro[3H-benzofuran-2,1'-cyclopentane]-4-yl)ethynyl]pyridine CAS Name: 4-[2-(6-bromo-7-methoxy-4-spiro[3H-benzofuran-2,1'-cyclopentane]yl)ethynyl]pyridine IUPAC Name: 4-[2-(6-bromo-7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)ethynyl]pyridine Traditional Name: 4-[2-(6-bromo-7-methoxy-spiro[coumaran-2,1'-cyclopentane]-4-yl)ethynyl]pyridine Formula: C20H18BrNO2 MolecularWeight: 384.26642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C2=C1OC3(C2)CCCC3)C#CC4=CC=NC=C4)Br

Isomeric SMILES

COC1=C(C=C(C2=C1OC3(C2)CCCC3)C#CC4=CC=NC=C4)Br

InChI

InChI=1S/C20H18BrNO2/c1-23-19-17(21)12-15(5-4-14-6-10-22-11-7-14)16-13-20(24-18(16)19)8-2-3-9-20/h6-7,10-12H,2-3,8-9,13H2,1H3