2-methylpropanenitrile; 2-[2-[(3-phenoxyphenyl)methyl]-1-benzofuran-5-yl]ethanoate

Systemtic Name: 2-methylpropanenitrile; 2-[2-[(3-phenoxyphenyl)methyl]-1-benzofuran-5-yl]ethanoate Openeye Name: 2-methylpropanenitrile; 2-[2-[(3-phenoxyphenyl)methyl]benzofuran-5-yl]acetate CAS Name: 2-methylpropanenitrile; 2-[2-[(3-phenoxyphenyl)methyl]-5-benzofuranyl]acetate IUPAC Name: 2-methylpropanenitrile; 2-[2-[(3-phenoxyphenyl)methyl]-1-benzofuran-5-yl]acetate Traditional Name: isobutyronitrile; 2-[2-(3-phenoxybenzyl)benzofuran-5-yl]acetate Formula: C27H24NO4- MolecularWeight: 426.48376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#N.C1=CC=C(C=C1)OC2=CC=CC(=C2)CC3=CC4=C(O3)C=CC(=C4)CC(=O)[O-]

Isomeric SMILES

CC(C)C#N.C1=CC=C(C=C1)OC2=CC=CC(=C2)CC3=CC4=C(O3)C=CC(=C4)CC(=O)[O-]

InChI

InChI=1S/C23H18O4.C4H7N/c24-23(25)14-17-9-10-22-18(11-17)15-21(27-22)13-16-5-4-8-20(12-16)26-19-6-2-1-3-7-19;1-4(2)3-5/h1-12,15H,13-14H2,(H,24,25);4H,1-2H3/p-1