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

Systemtic Name: 6-[1-(2-chlorophenyl)butan-2-yl]-3-[cyclopropyl(phenyl)methyl]-2-oxidanyl-pyran-4-one Openeye Name: 6-[1-[(2-chlorophenyl)methyl]propyl]-3-[cyclopropyl(phenyl)methyl]-2-hydroxy-pyran-4-one CAS Name: 6-[1-(2-chlorophenyl)butan-2-yl]-3-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-pyranone IUPAC Name: 6-[1-(2-chlorophenyl)butan-2-yl]-3-[cyclopropyl(phenyl)methyl]-2-hydroxypyran-4-one Traditional Name: 6-[1-(2-chlorobenzyl)propyl]-3-[cyclopropyl(phenyl)methyl]-2-hydroxy-pyran-4-one Formula: C25H25ClO3 MolecularWeight: 408.9172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1Cl)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=CC=C4

Isomeric SMILES

CCC(CC1=CC=CC=C1Cl)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H25ClO3/c1-2-16(14-19-10-6-7-11-20(19)26)22-15-21(27)24(25(28)29-22)23(18-12-13-18)17-8-4-3-5-9-17/h3-11,15-16,18,23,28H,2,12-14H2,1H3