2-[3-chloranyl-2-[(3-phenoxyphenyl)methyl]-1-benzofuran-6-yl]ethanoate; 2-methylpropanenitrile

Systemtic Name: 2-[3-chloranyl-2-[(3-phenoxyphenyl)methyl]-1-benzofuran-6-yl]ethanoate; 2-methylpropanenitrile Openeye Name: 2-[3-chloro-2-[(3-phenoxyphenyl)methyl]benzofuran-6-yl]acetate; 2-methylpropanenitrile CAS Name: 2-[3-chloro-2-[(3-phenoxyphenyl)methyl]-6-benzofuranyl]acetate; 2-methylpropanenitrile IUPAC Name: 2-[3-chloro-2-[(3-phenoxyphenyl)methyl]-1-benzofuran-6-yl]acetate; 2-methylpropanenitrile Traditional Name: 2-[3-chloro-2-(3-phenoxybenzyl)benzofuran-6-yl]acetate; isobutyronitrile Formula: C27H23ClNO4- MolecularWeight: 460.92882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClO4.C4H7N/c24-23-19-10-9-16(14-22(25)26)12-20(19)28-21(23)13-15-5-4-8-18(11-15)27-17-6-2-1-3-7-17;1-4(2)3-5/h1-12H,13-14H2,(H,25,26);4H,1-2H3/p-1