2-[4-methyl-5-oxidanyl-2-oxidanylidene-7-(5-phenylpentan-2-yl)chromen-3-yl]propanoic acid

Systemtic Name: 2-[4-methyl-5-oxidanyl-2-oxidanylidene-7-(5-phenylpentan-2-yl)chromen-3-yl]propanoic acid Openeye Name: 2-[5-hydroxy-4-methyl-7-(1-methyl-4-phenyl-butyl)-2-oxo-chromen-3-yl]propanoic acid CAS Name: 2-[5-hydroxy-4-methyl-2-oxo-7-(5-phenylpentan-2-yl)-1-benzopyran-3-yl]propanoic acid IUPAC Name: 2-[5-hydroxy-4-methyl-2-oxo-7-(5-phenylpentan-2-yl)chromen-3-yl]propanoic acid Traditional Name: 2-[5-hydroxy-2-keto-4-methyl-7-(1-methyl-4-phenyl-butyl)chromen-3-yl]propionic acid Formula: C24H26O5 MolecularWeight: 394.46024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C(=CC(=C2)C(C)CCCC3=CC=CC=C3)O)C(C)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=C1C(=CC(=C2)C(C)CCCC3=CC=CC=C3)O)C(C)C(=O)O

InChI

InChI=1S/C24H26O5/c1-14(8-7-11-17-9-5-4-6-10-17)18-12-19(25)22-15(2)21(16(3)23(26)27)24(28)29-20(22)13-18/h4-6,9-10,12-14,16,25H,7-8,11H2,1-3H3,(H,26,27)