3-[2-butanoyl-4-(4-phenylphenoxy)phenyl]-2-methoxy-propanoic acid

Systemtic Name: 3-[2-butanoyl-4-(4-phenylphenoxy)phenyl]-2-methoxy-propanoic acid Openeye Name: 3-[2-butanoyl-4-(4-phenylphenoxy)phenyl]-2-methoxy-propanoic acid CAS Name: 2-methoxy-3-[2-(1-oxobutyl)-4-(4-phenylphenoxy)phenyl]propanoic acid IUPAC Name: 3-[2-butanoyl-4-(4-phenylphenoxy)phenyl]-2-methoxypropanoic acid Traditional Name: 3-[2-butyryl-4-(4-phenylphenoxy)phenyl]-2-methoxy-propionic acid Formula: C26H26O5 MolecularWeight: 418.48164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=CC(=C1)OC2=CC=C(C=C2)C3=CC=CC=C3)CC(C(=O)O)OC

Isomeric SMILES

CCCC(=O)C1=C(C=CC(=C1)OC2=CC=C(C=C2)C3=CC=CC=C3)CC(C(=O)O)OC

InChI

InChI=1S/C26H26O5/c1-3-7-24(27)23-17-22(15-12-20(23)16-25(30-2)26(28)29)31-21-13-10-19(11-14-21)18-8-5-4-6-9-18/h4-6,8-15,17,25H,3,7,16H2,1-2H3,(H,28,29)