4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanenitrile; methoxybenzene

Systemtic Name: 4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanenitrile; methoxybenzene Openeye Name: anisole; 4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanenitrile CAS Name: 4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanenitrile; methoxybenzene IUPAC Name: anisole; 4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butanenitrile Traditional Name: anisole; 4-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]phenyl]butyronitrile Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CC2=CC=CC=C2CCCC#N)C.COC1=CC=CC=C1

Isomeric SMILES

CC1(OCC(CO1)CC2=CC=CC=C2CCCC#N)C.COC1=CC=CC=C1

InChI

InChI=1S/C17H23NO2.C7H8O/c1-17(2)19-12-14(13-20-17)11-16-9-4-3-7-15(16)8-5-6-10-18;1-8-7-5-3-2-4-6-7/h3-4,7,9,14H,5-6,8,11-13H2,1-2H3;2-6H,1H3