2-[2,3-dimethyl-4-[(3-phenoxyphenyl)methyl]-1-benzofuran-6-yl]ethanoate; 2-methylpropanenitrile

Systemtic Name: 2-[2,3-dimethyl-4-[(3-phenoxyphenyl)methyl]-1-benzofuran-6-yl]ethanoate; 2-methylpropanenitrile Openeye Name: 2-[2,3-dimethyl-4-[(3-phenoxyphenyl)methyl]benzofuran-6-yl]acetate; 2-methylpropanenitrile CAS Name: 2-[2,3-dimethyl-4-[(3-phenoxyphenyl)methyl]-6-benzofuranyl]acetate; 2-methylpropanenitrile IUPAC Name: 2-[2,3-dimethyl-4-[(3-phenoxyphenyl)methyl]-1-benzofuran-6-yl]acetate; 2-methylpropanenitrile Traditional Name: 2-[2,3-dimethyl-4-(3-phenoxybenzyl)benzofuran-6-yl]acetate; isobutyronitrile Formula: C29H28NO4- MolecularWeight: 454.53692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC(=CC(=C12)CC3=CC(=CC=C3)OC4=CC=CC=C4)CC(=O)[O-])C.CC(C)C#N

Isomeric SMILES

CC1=C(OC2=CC(=CC(=C12)CC3=CC(=CC=C3)OC4=CC=CC=C4)CC(=O)[O-])C.CC(C)C#N

InChI

InChI=1S/C25H22O4.C4H7N/c1-16-17(2)28-23-14-19(15-24(26)27)12-20(25(16)23)11-18-7-6-10-22(13-18)29-21-8-4-3-5-9-21;1-4(2)3-5/h3-10,12-14H,11,15H2,1-2H3,(H,26,27);4H,1-2H3/p-1