6-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[phenyl(propyl)amino]-6-propan-2-yl-oxane-2,4-dione

Systemtic Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[phenyl(propyl)amino]-6-propan-2-yl-oxane-2,4-dione Openeye Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-6-isopropyl-3-(N-propylanilino)tetrahydropyran-2,4-dione CAS Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-6-propan-2-yl-3-(N-propylanilino)oxane-2,4-dione IUPAC Name: 6-[2-(1,3-benzodioxol-5-yl)ethyl]-6-propan-2-yl-3-(N-propylanilino)oxane-2,4-dione Traditional Name: 6-homopiperonyl-6-isopropyl-3-(N-propylanilino)tetrahydropyran-2,4-quinone Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1C(=O)CC(OC1=O)(CCC2=CC3=C(C=C2)OCO3)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CCCN(C1C(=O)CC(OC1=O)(CCC2=CC3=C(C=C2)OCO3)C(C)C)C4=CC=CC=C4

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/h5-11,15,18,24H,4,12-14,16-17H2,1-3H3