4-[(1-adamantylmethylamino)methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(1-adamantylmethylamino)methyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[(1-adamantylmethylamino)methyl]-7-hydroxy-chromen-2-one CAS Name: 4-[(1-adamantylmethylamino)methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(1-adamantylmethylamino)methyl]-7-hydroxychromen-2-one Traditional Name: 4-[(1-adamantylmethylamino)methyl]-7-hydroxy-coumarin Formula: C21H25NO3 MolecularWeight: 339.4281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNCC4=CC(=O)OC5=C4C=CC(=C5)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNCC4=CC(=O)OC5=C4C=CC(=C5)O

InChI

InChI=1S/C21H25NO3/c23-17-1-2-18-16(6-20(24)25-19(18)7-17)11-22-12-21-8-13-3-14(9-21)5-15(4-13)10-21/h1-2,6-7,13-15,22-23H,3-5,8-12H2