2-[2-(1,3-benzodioxol-5-yl)ethyl]-6-oxidanyl-5-[phenyl(propyl)amino]-2-propan-2-yl-3H-pyran-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-6-oxidanyl-5-[phenyl(propyl)amino]-2-propan-2-yl-3H-pyran-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-6-hydroxy-2-isopropyl-5-(N-propylanilino)-3H-pyran-4-one CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-6-hydroxy-2-propan-2-yl-5-(N-propylanilino)-3H-pyran-4-one IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-6-hydroxy-2-propan-2-yl-5-(N-propylanilino)-3H-pyran-4-one Traditional Name: 2-homopiperonyl-6-hydroxy-2-isopropyl-5-(N-propylanilino)-3H-pyran-4-one Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC=C1)C2=C(OC(CC2=O)(CCC3=CC4=C(C=C3)OCO4)C(C)C)O

Isomeric SMILES

CCCN(C1=CC=CC=C1)C2=C(OC(CC2=O)(CCC3=CC4=C(C=C3)OCO4)C(C)C)O

InChI

InChI=1S/C26H31NO5/c1-4-14-27(20-8-6-5-7-9-20)24-21(28)16-26(18(2)3,32-25(24)29)13-12-19-10-11-22-23(15-19)31-17-30-22/h5-11,15,18,29H,4,12-14,16-17H2,1-3H3