2-(dimethylaminomethyl)-3-oxidanyl-6-(phenoxymethyl)-5-propyl-pyran-4-one

Systemtic Name: 2-(dimethylaminomethyl)-3-oxidanyl-6-(phenoxymethyl)-5-propyl-pyran-4-one Openeye Name: 2-(dimethylaminomethyl)-3-hydroxy-6-(phenoxymethyl)-5-propyl-pyran-4-one CAS Name: 2-(dimethylaminomethyl)-3-hydroxy-6-(phenoxymethyl)-5-propyl-4-pyranone IUPAC Name: 2-(dimethylaminomethyl)-3-hydroxy-6-(phenoxymethyl)-5-propylpyran-4-one Traditional Name: 2-(dimethylaminomethyl)-3-hydroxy-6-(phenoxymethyl)-5-propyl-pyran-4-one Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(OC(=C(C1=O)O)CN(C)C)COC2=CC=CC=C2

Isomeric SMILES

CCCC1=C(OC(=C(C1=O)O)CN(C)C)COC2=CC=CC=C2

InChI

InChI=1S/C18H23NO4/c1-4-8-14-16(12-22-13-9-6-5-7-10-13)23-15(11-19(2)3)18(21)17(14)20/h5-7,9-10,21H,4,8,11-12H2,1-3H3