3-[(2-cyclopropylphenyl)methyl]-2-oxidanyl-6-[3-(phenylmethyl)pentan-3-yl]pyran-4-one

Systemtic Name: 3-[(2-cyclopropylphenyl)methyl]-2-oxidanyl-6-[3-(phenylmethyl)pentan-3-yl]pyran-4-one Openeye Name: 6-(1-benzyl-1-ethyl-propyl)-3-[(2-cyclopropylphenyl)methyl]-2-hydroxy-pyran-4-one CAS Name: 3-[(2-cyclopropylphenyl)methyl]-2-hydroxy-6-[3-(phenylmethyl)pentan-3-yl]-4-pyranone IUPAC Name: 6-(3-benzylpentan-3-yl)-3-[(2-cyclopropylphenyl)methyl]-2-hydroxypyran-4-one Traditional Name: 6-(1-benzyl-1-ethyl-propyl)-3-(2-cyclopropylbenzyl)-2-hydroxy-pyran-4-one Formula: C27H30O3 MolecularWeight: 402.5253

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)CC3=CC=CC=C3C4CC4

Isomeric SMILES

CCC(CC)(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)CC3=CC=CC=C3C4CC4

InChI

InChI=1S/C27H30O3/c1-3-27(4-2,18-19-10-6-5-7-11-19)25-17-24(28)23(26(29)30-25)16-21-12-8-9-13-22(21)20-14-15-20/h5-13,17,20,29H,3-4,14-16,18H2,1-2H3