6-[1-(3-bromophenyl)butan-2-yl]-3-[cyclopropyl(phenyl)methyl]-2-oxidanyl-pyran-4-one

Systemtic Name: 6-[1-(3-bromophenyl)butan-2-yl]-3-[cyclopropyl(phenyl)methyl]-2-oxidanyl-pyran-4-one Openeye Name: 6-[1-[(3-bromophenyl)methyl]propyl]-3-[cyclopropyl(phenyl)methyl]-2-hydroxy-pyran-4-one CAS Name: 6-[1-(3-bromophenyl)butan-2-yl]-3-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-pyranone IUPAC Name: 6-[1-(3-bromophenyl)butan-2-yl]-3-[cyclopropyl(phenyl)methyl]-2-hydroxypyran-4-one Traditional Name: 6-[1-(3-bromobenzyl)propyl]-3-[cyclopropyl(phenyl)methyl]-2-hydroxy-pyran-4-one Formula: C25H25BrO3 MolecularWeight: 453.3682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)Br)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=CC=C4

Isomeric SMILES

CCC(CC1=CC(=CC=C1)Br)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H25BrO3/c1-2-17(13-16-7-6-10-20(26)14-16)22-15-21(27)24(25(28)29-22)23(19-11-12-19)18-8-4-3-5-9-18/h3-10,14-15,17,19,23,28H,2,11-13H2,1H3