methyl (3R,4S)-4-azanyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carboxylate

Systemtic Name: methyl (3R,4S)-4-azanyl-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carboxylate Openeye Name: methyl (3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-chromane-6-carboxylate CAS Name: (3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl (3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylate Traditional Name: (3R,4S)-4-amino-3-hydroxy-2,2-dimethyl-chroman-6-carboxylic acid methyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C(=O)OC)N)O)C

Isomeric SMILES

CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C(=O)OC)N)O)C

InChI

InChI=1S/C13H17NO4/c1-13(2)11(15)10(14)8-6-7(12(16)17-3)4-5-9(8)18-13/h4-6,10-11,15H,14H2,1-3H3/t10-,11+/m0/s1