5-[3-(4-ethanoylphenyl)-5-(methoxymethoxymethyl)-4-methyl-furan-2-yl]hexanenitrile

Systemtic Name: 5-[3-(4-ethanoylphenyl)-5-(methoxymethoxymethyl)-4-methyl-furan-2-yl]hexanenitrile Openeye Name: 5-[3-(4-acetylphenyl)-5-(methoxymethoxymethyl)-4-methyl-2-furyl]hexanenitrile CAS Name: 5-[3-(4-acetylphenyl)-5-(methoxymethoxymethyl)-4-methyl-2-furanyl]hexanenitrile IUPAC Name: 5-[3-(4-acetylphenyl)-5-(methoxymethoxymethyl)-4-methylfuran-2-yl]hexanenitrile Traditional Name: 5-[3-(4-acetylphenyl)-5-(methoxymethoxymethyl)-4-methyl-2-furyl]hexanenitrile Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C2=CC=C(C=C2)C(=O)C)C(C)CCCC#N)COCOC

Isomeric SMILES

CC1=C(OC(=C1C2=CC=C(C=C2)C(=O)C)C(C)CCCC#N)COCOC

InChI

InChI=1S/C22H27NO4/c1-15(7-5-6-12-23)22-21(16(2)20(27-22)13-26-14-25-4)19-10-8-18(9-11-19)17(3)24/h8-11,15H,5-7,13-14H2,1-4H3