5-chloranyl-2-cyclopentyl-6-oxidanyl-2-[2-(4-phenylmethoxyphenyl)ethyl]-3H-pyran-4-one

Systemtic Name: 5-chloranyl-2-cyclopentyl-6-oxidanyl-2-[2-(4-phenylmethoxyphenyl)ethyl]-3H-pyran-4-one Openeye Name: 2-[2-(4-benzyloxyphenyl)ethyl]-5-chloro-2-cyclopentyl-6-hydroxy-3H-pyran-4-one CAS Name: 5-chloro-2-cyclopentyl-6-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-3H-pyran-4-one IUPAC Name: 5-chloro-2-cyclopentyl-6-hydroxy-2-[2-(4-phenylmethoxyphenyl)ethyl]-3H-pyran-4-one Traditional Name: 2-[2-(4-benzoxyphenyl)ethyl]-5-chloro-2-cyclopentyl-6-hydroxy-3H-pyran-4-one Formula: C25H27ClO4 MolecularWeight: 426.93248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2(CC(=O)C(=C(O2)O)Cl)CCC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)C2(CC(=O)C(=C(O2)O)Cl)CCC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H27ClO4/c26-23-22(27)16-25(30-24(23)28,20-8-4-5-9-20)15-14-18-10-12-21(13-11-18)29-17-19-6-2-1-3-7-19/h1-3,6-7,10-13,20,28H,4-5,8-9,14-17H2