7-(2-methyloctan-2-yl)-4-(2-oxidanylpropylamino)-2,3-dihydrochromen-5-one

Systemtic Name: 7-(2-methyloctan-2-yl)-4-(2-oxidanylpropylamino)-2,3-dihydrochromen-5-one Openeye Name: 7-(1,1-dimethylheptyl)-4-(2-hydroxypropylamino)-2,3-dihydrochromen-5-one CAS Name: 4-(2-hydroxypropylamino)-7-(2-methyloctan-2-yl)-2,3-dihydro-1-benzopyran-5-one IUPAC Name: 4-(2-hydroxypropylamino)-7-(2-methyloctan-2-yl)-2,3-dihydrochromen-5-one Traditional Name: 7-(1,1-dimethylheptyl)-4-(2-hydroxypropylamino)-2,3-dihydrochromen-5-one Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=O)C2=C(CCOC2=C1)NCC(C)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=O)C2=C(CCOC2=C1)NCC(C)O

InChI

InChI=1S/C21H33NO3/c1-5-6-7-8-10-21(3,4)16-12-18(24)20-17(22-14-15(2)23)9-11-25-19(20)13-16/h12-13,15,22-23H,5-11,14H2,1-4H3