3-(4-methoxyphenyl)carbonyl-4-methyl-hexanenitrile

Systemtic Name: 3-(4-methoxyphenyl)carbonyl-4-methyl-hexanenitrile Openeye Name: 3-(4-methoxybenzoyl)-4-methyl-hexanenitrile CAS Name: 3-[(4-methoxyphenyl)-oxomethyl]-4-methylhexanenitrile IUPAC Name: 3-(4-methoxybenzoyl)-4-methylhexanenitrile Traditional Name: 4-methyl-3-p-anisoyl-hexanenitrile Formula: C15H19NO2 MolecularWeight: 245.31686

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC#N)C(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CCC(C)C(CC#N)C(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C15H19NO2/c1-4-11(2)14(9-10-16)15(17)12-5-7-13(18-3)8-6-12/h5-8,11,14H,4,9H2,1-3H3