2-(hydroxymethyl)-5-(4-indol-1-ylbutoxy)pyran-4-one

Systemtic Name: 2-(hydroxymethyl)-5-(4-indol-1-ylbutoxy)pyran-4-one Openeye Name: 2-(hydroxymethyl)-5-(4-indol-1-ylbutoxy)pyran-4-one CAS Name: 2-(hydroxymethyl)-5-[4-(1-indolyl)butoxy]-4-pyranone IUPAC Name: 2-(hydroxymethyl)-5-(4-indol-1-ylbutoxy)pyran-4-one Traditional Name: 5-(4-indol-1-ylbutoxy)-2-methylol-pyran-4-one Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2CCCCOC3=COC(=CC3=O)CO

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2CCCCOC3=COC(=CC3=O)CO

InChI

InChI=1S/C18H19NO4/c20-12-15-11-17(21)18(13-23-15)22-10-4-3-8-19-9-7-14-5-1-2-6-16(14)19/h1-2,5-7,9,11,13,20H,3-4,8,10,12H2