2-[7-chloranyl-2-[(3-phenoxyphenyl)methyl]-1-benzofuran-4-yl]ethanoate; 2-methylpropanenitrile

Systemtic Name: 2-[7-chloranyl-2-[(3-phenoxyphenyl)methyl]-1-benzofuran-4-yl]ethanoate; 2-methylpropanenitrile Openeye Name: 2-[7-chloro-2-[(3-phenoxyphenyl)methyl]benzofuran-4-yl]acetate; 2-methylpropanenitrile CAS Name: 2-[7-chloro-2-[(3-phenoxyphenyl)methyl]-4-benzofuranyl]acetate; 2-methylpropanenitrile IUPAC Name: 2-[7-chloro-2-[(3-phenoxyphenyl)methyl]-1-benzofuran-4-yl]acetate; 2-methylpropanenitrile Traditional Name: 2-[7-chloro-2-(3-phenoxybenzyl)benzofuran-4-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=CC4=C(C=CC(=C4O3)Cl)CC(=O)[O-]

Isomeric SMILES

CC(C)C#N.C1=CC=C(C=C1)OC2=CC=CC(=C2)CC3=CC4=C(C=CC(=C4O3)Cl)CC(=O)[O-]

InChI

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