2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-3-pyridin-4-yl-propanenitrile

Systemtic Name: 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-3-pyridin-4-yl-propanenitrile Openeye Name: 2-(7-methoxyspiro[3H-benzofuran-2,1'-cyclopentane]-4-yl)-3-(4-pyridyl)propanenitrile CAS Name: 2-(7-methoxy-4-spiro[3H-benzofuran-2,1'-cyclopentane]yl)-3-pyridin-4-ylpropanenitrile IUPAC Name: 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-3-pyridin-4-ylpropanenitrile Traditional Name: 2-(7-methoxyspiro[coumaran-2,1'-cyclopentane]-4-yl)-3-(4-pyridyl)propionitrile Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C(CC3=CC=NC=C3)C#N)CC4(O2)CCCC4

Isomeric SMILES

COC1=C2C(=C(C=C1)C(CC3=CC=NC=C3)C#N)CC4(O2)CCCC4

InChI

InChI=1S/C21H22N2O2/c1-24-19-5-4-17(16(14-22)12-15-6-10-23-11-7-15)18-13-21(25-20(18)19)8-2-3-9-21/h4-7,10-11,16H,2-3,8-9,12-13H2,1H3