6-[2-(4-fluorophenyl)-3-methyl-butyl]-4-oxidanyl-oxan-2-one; 1H-pyrrole

Systemtic Name: 6-[2-(4-fluorophenyl)-3-methyl-butyl]-4-oxidanyl-oxan-2-one; 1H-pyrrole Openeye Name: 6-[2-(4-fluorophenyl)-3-methyl-butyl]-4-hydroxy-tetrahydropyran-2-one; pyrrole CAS Name: 6-[2-(4-fluorophenyl)-3-methylbutyl]-4-hydroxy-2-oxanone; 1H-pyrrole IUPAC Name: 6-[2-(4-fluorophenyl)-3-methylbutyl]-4-hydroxyoxan-2-one; 1H-pyrrole Traditional Name: 6-[2-(4-fluorophenyl)-3-methyl-butyl]-4-hydroxy-tetrahydropyran-2-one; pyrrole Formula: C20H26FNO3 MolecularWeight: 347.423743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1CC(CC(=O)O1)O)C2=CC=C(C=C2)F.C1=CNC=C1

Isomeric SMILES

CC(C)C(CC1CC(CC(=O)O1)O)C2=CC=C(C=C2)F.C1=CNC=C1

InChI

InChI=1S/C16H21FO3.C4H5N/c1-10(2)15(11-3-5-12(17)6-4-11)9-14-7-13(18)8-16(19)20-14;1-2-4-5-3-1/h3-6,10,13-15,18H,7-9H2,1-2H3;1-5H