(1S,2S)-2-azanyl-1-phenyl-propane-1,3-diol; (6R)-6-phenethyl-6-propyl-oxane-2,4-dione

Systemtic Name: (1S,2S)-2-azanyl-1-phenyl-propane-1,3-diol; (6R)-6-phenethyl-6-propyl-oxane-2,4-dione Openeye Name: (1S,2S)-2-amino-1-phenyl-propane-1,3-diol; (6R)-6-phenethyl-6-propyl-tetrahydropyran-2,4-dione CAS Name: (1S,2S)-2-amino-1-phenylpropane-1,3-diol; (6R)-6-phenethyl-6-propyloxane-2,4-dione IUPAC Name: (1S,2S)-2-amino-1-phenylpropane-1,3-diol; (6R)-6-phenethyl-6-propyloxane-2,4-dione Traditional Name: (1S,2S)-2-amino-1-phenyl-propane-1,3-diol; (6R)-6-phenethyl-6-propyl-tetrahydropyran-2,4-quinone Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O3.C9H13NO2/c1-2-9-16(12-14(17)11-15(18)19-16)10-8-13-6-4-3-5-7-13;10-8(6-11)9(12)7-4-2-1-3-5-7/h3-7H,2,8-12H2,1H3;1-5,8-9,11-12H,6,10H2/t16-;8-,9-/m10/s1