(1S,2R)-2-azanyl-1-phenyl-propan-1-ol; (6S)-6-phenethyl-6-propyl-oxane-2,4-dione

Systemtic Name: (1S,2R)-2-azanyl-1-phenyl-propan-1-ol; (6S)-6-phenethyl-6-propyl-oxane-2,4-dione Openeye Name: (1S,2R)-2-amino-1-phenyl-propan-1-ol; (6S)-6-phenethyl-6-propyl-tetrahydropyran-2,4-dione CAS Name: (1S,2R)-2-amino-1-phenyl-1-propanol; (6S)-6-phenethyl-6-propyloxane-2,4-dione IUPAC Name: (1S,2R)-2-amino-1-phenylpropan-1-ol; (6S)-6-phenethyl-6-propyloxane-2,4-dione Traditional Name: (1S,2R)-2-amino-1-phenyl-propan-1-ol; (6S)-6-phenethyl-6-propyl-tetrahydropyran-2,4-quinone Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(=O)CC(=O)O1)CCC2=CC=CC=C2.CC(C(C1=CC=CC=C1)O)N

Isomeric SMILES

CCC[C@@]1(CC(=O)CC(=O)O1)CCC2=CC=CC=C2.C[C@H]([C@H](C1=CC=CC=C1)O)N

InChI

InChI=1S/C16H20O3.C9H13NO/c1-2-9-16(12-14(17)11-15(18)19-16)10-8-13-6-4-3-5-7-13;1-7(10)9(11)8-5-3-2-4-6-8/h3-7H,2,8-12H2,1H3;2-7,9,11H,10H2,1H3/t16-;7-,9-/m01/s1