[4-cyano-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydrochromen-5-yl] ethanoate

Systemtic Name: [4-cyano-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydrochromen-5-yl] ethanoate Openeye Name: [4-cyano-7-(1,1-dimethylheptyl)-2,2-dimethyl-chroman-5-yl] acetate CAS Name: acetic acid [4-cyano-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydro-2H-1-benzopyran-5-yl] ester IUPAC Name: [4-cyano-2,2-dimethyl-7-(2-methyloctan-2-yl)-3,4-dihydrochromen-5-yl] acetate Traditional Name: acetic acid [4-cyano-7-(1,1-dimethylheptyl)-2,2-dimethyl-chroman-5-yl] ester Formula: C23H33NO3 MolecularWeight: 371.51302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)C#N)C(=C1)OC(=O)C

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C(CC(O2)(C)C)C#N)C(=C1)OC(=O)C

InChI

InChI=1S/C23H33NO3/c1-7-8-9-10-11-22(3,4)18-12-19(26-16(2)25)21-17(15-24)14-23(5,6)27-20(21)13-18/h12-13,17H,7-11,14H2,1-6H3