butyl 2,2-dimethyl-4-oxidanylidene-3H-pyran-6-carboxylate; 2-cyclopentyl-6-oxidanyl-2-[2-(3-phenylmethoxyphenyl)ethyl]-3H-pyran-4-one

Systemtic Name: butyl 2,2-dimethyl-4-oxidanylidene-3H-pyran-6-carboxylate; 2-cyclopentyl-6-oxidanyl-2-[2-(3-phenylmethoxyphenyl)ethyl]-3H-pyran-4-one Openeye Name: 2-[2-(3-benzyloxyphenyl)ethyl]-2-cyclopentyl-6-hydroxy-3H-pyran-4-one; butyl 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylate CAS Name: 2-cyclopentyl-6-hydroxy-2-[2-(3-phenylmethoxyphenyl)ethyl]-3H-pyran-4-one; 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylic acid butyl ester IUPAC Name: butyl 2,2-dimethyl-4-oxo-3H-pyran-6-carboxylate; 2-cyclopentyl-6-hydroxy-2-[2-(3-phenylmethoxyphenyl)ethyl]-3H-pyran-4-one Traditional Name: 2-[2-(3-benzoxyphenyl)ethyl]-2-cyclopentyl-6-hydroxy-3H-pyran-4-one; 4-keto-2,2-dimethyl-3H-pyran-6-carboxylic acid butyl ester Formula: C37H46O8 MolecularWeight: 618.75634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=O)CC(O1)(C)C.C1CCC(C1)C2(CC(=O)C=C(O2)O)CCC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC(=O)CC(O1)(C)C.C1CCC(C1)C2(CC(=O)C=C(O2)O)CCC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H28O4.C12H18O4/c26-22-16-24(27)29-25(17-22,21-10-4-5-11-21)14-13-19-9-6-12-23(15-19)28-18-20-7-2-1-3-8-20;1-4-5-6-15-11(14)10-7-9(13)8-12(2,3)16-10/h1-3,6-9,12,15-16,21,27H,4-5,10-11,13-14,17-18H2;7H,4-6,8H2,1-3H3