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

Systemtic Name: 2-methylpropanenitrile; 2-[2-[(3-phenoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]ethanoate Openeye Name: 2-methylpropanenitrile; 2-[2-[(3-phenoxyphenyl)methyl]-2,3-dihydrobenzofuran-5-yl]acetate CAS Name: 2-methylpropanenitrile; 2-[2-[(3-phenoxyphenyl)methyl]-2,3-dihydrobenzofuran-5-yl]acetate IUPAC Name: 2-methylpropanenitrile; 2-[2-[(3-phenoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-yl]acetate Traditional Name: isobutyronitrile; 2-[2-(3-phenoxybenzyl)coumaran-5-yl]acetate Formula: C27H26NO4- MolecularWeight: 428.49964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#N.C1C(OC2=C1C=C(C=C2)CC(=O)[O-])CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C#N.C1C(OC2=C1C=C(C=C2)CC(=O)[O-])CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H20O4.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/h1-12,21H,13-15H2,(H,24,25);4H,1-2H3/p-1