1-[(3R,4S)-4-azanyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-6-yl]propan-1-one

Systemtic Name: 1-[(3R,4S)-4-azanyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-6-yl]propan-1-one Openeye Name: 1-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-chroman-6-yl]propan-1-one CAS Name: 1-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl]-1-propanone IUPAC Name: 1-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]propan-1-one Traditional Name: 1-[(3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-chroman-6-yl]propan-1-one Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OC(C(C2N)O)(C)C

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)OC([C@@H]([C@H]2N)O)(C)C

InChI

InChI=1S/C14H19NO3/c1-4-10(16)8-5-6-11-9(7-8)12(15)13(17)14(2,3)18-11/h5-7,12-13,17H,4,15H2,1-3H3/t12-,13+/m0/s1