3-[7-(3-methylphenyl)-4-oxidanylidene-spiro[3H-chromene-2,1'-cyclohexane]-3-yl]propanenitrile

Systemtic Name: 3-[7-(3-methylphenyl)-4-oxidanylidene-spiro[3H-chromene-2,1'-cyclohexane]-3-yl]propanenitrile Openeye Name: 3-[7-(m-tolyl)-4-oxo-spiro[chromane-2,1'-cyclohexane]-3-yl]propanenitrile CAS Name: 3-[7-(3-methylphenyl)-4-oxo-3-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclohexane]yl]propanenitrile IUPAC Name: 3-[7-(3-methylphenyl)-4-oxospiro[3H-chromene-2,1'-cyclohexane]-3-yl]propanenitrile Traditional Name: 3-[4-keto-7-(m-tolyl)spiro[chroman-2,1'-cyclohexane]-3-yl]propionitrile Formula: C24H25NO2 MolecularWeight: 359.4608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC3=C(C=C2)C(=O)C(C4(O3)CCCCC4)CCC#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC3=C(C=C2)C(=O)C(C4(O3)CCCCC4)CCC#N

InChI

InChI=1S/C24H25NO2/c1-17-7-5-8-18(15-17)19-10-11-20-22(16-19)27-24(12-3-2-4-13-24)21(23(20)26)9-6-14-25/h5,7-8,10-11,15-16,21H,2-4,6,9,12-13H2,1H3