3-[5-[cyclopropyl(phenyl)methyl]-6-oxidanyl-4-oxidanylidene-pyran-2-yl]propanoic acid

Systemtic Name: 3-[5-[cyclopropyl(phenyl)methyl]-6-oxidanyl-4-oxidanylidene-pyran-2-yl]propanoic acid Openeye Name: 3-[5-[cyclopropyl(phenyl)methyl]-6-hydroxy-4-oxo-pyran-2-yl]propanoic acid CAS Name: 3-[5-[cyclopropyl(phenyl)methyl]-6-hydroxy-4-oxo-2-pyranyl]propanoic acid IUPAC Name: 3-[5-[cyclopropyl(phenyl)methyl]-6-hydroxy-4-oxopyran-2-yl]propanoic acid Traditional Name: 3-[5-[cyclopropyl(phenyl)methyl]-6-hydroxy-4-keto-pyran-2-yl]propionic acid Formula: C18H18O5 MolecularWeight: 314.33252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2=CC=CC=C2)C3=C(OC(=CC3=O)CCC(=O)O)O

Isomeric SMILES

C1CC1C(C2=CC=CC=C2)C3=C(OC(=CC3=O)CCC(=O)O)O

InChI

InChI=1S/C18H18O5/c19-14-10-13(8-9-15(20)21)23-18(22)17(14)16(12-6-7-12)11-4-2-1-3-5-11/h1-5,10,12,16,22H,6-9H2,(H,20,21)