4-[3-methoxy-5-(phenylmethyl)-2-propoxy-phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[3-methoxy-5-(phenylmethyl)-2-propoxy-phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-(5-benzyl-3-methoxy-2-propoxy-phenyl)-2,4-dioxo-butanoic acid CAS Name: 4-[3-methoxy-5-(phenylmethyl)-2-propoxyphenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-(5-benzyl-3-methoxy-2-propoxyphenyl)-2,4-dioxobutanoic acid Traditional Name: 4-(5-benzyl-3-methoxy-2-propoxy-phenyl)-2,4-diketo-butyric acid Formula: C21H22O6 MolecularWeight: 370.39578

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C(=O)CC(=O)C(=O)O)CC2=CC=CC=C2)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1C(=O)CC(=O)C(=O)O)CC2=CC=CC=C2)OC

InChI

InChI=1S/C21H22O6/c1-3-9-27-20-16(17(22)13-18(23)21(24)25)11-15(12-19(20)26-2)10-14-7-5-4-6-8-14/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,24,25)