3-(2-hexyl-4-oxidanylidene-2,3-dihydrochromen-3-yl)-3-phenyl-propanenitrile

Systemtic Name: 3-(2-hexyl-4-oxidanylidene-2,3-dihydrochromen-3-yl)-3-phenyl-propanenitrile Openeye Name: 3-(2-hexyl-4-oxo-chroman-3-yl)-3-phenyl-propanenitrile CAS Name: 3-(2-hexyl-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl)-3-phenylpropanenitrile IUPAC Name: 3-(2-hexyl-4-oxo-2,3-dihydrochromen-3-yl)-3-phenylpropanenitrile Traditional Name: 3-(2-hexyl-4-keto-chroman-3-yl)-3-phenyl-propionitrile Formula: C24H27NO2 MolecularWeight: 361.47668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C(=O)C2=CC=CC=C2O1)C(CC#N)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1C(C(=O)C2=CC=CC=C2O1)C(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C24H27NO2/c1-2-3-4-8-15-22-23(19(16-17-25)18-11-6-5-7-12-18)24(26)20-13-9-10-14-21(20)27-22/h5-7,9-14,19,22-23H,2-4,8,15-16H2,1H3