2,4-dimethyl-6-[2-(3-oxidanylidenebutyl)phenoxy]benzenecarbonitrile

Systemtic Name: 2,4-dimethyl-6-[2-(3-oxidanylidenebutyl)phenoxy]benzenecarbonitrile Openeye Name: 2,4-dimethyl-6-[2-(3-oxobutyl)phenoxy]benzonitrile CAS Name: 2,4-dimethyl-6-[2-(3-oxobutyl)phenoxy]benzonitrile IUPAC Name: 2,4-dimethyl-6-[2-(3-oxobutyl)phenoxy]benzonitrile Traditional Name: 2-[2-(3-ketobutyl)phenoxy]-4,6-dimethyl-benzonitrile Formula: C19H19NO2 MolecularWeight: 293.35966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=CC=CC=C2CCC(=O)C)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC=CC=C2CCC(=O)C)C#N)C

InChI

InChI=1S/C19H19NO2/c1-13-10-14(2)17(12-20)19(11-13)22-18-7-5-4-6-16(18)9-8-15(3)21/h4-7,10-11H,8-9H2,1-3H3