2-methoxy-3-[4-[5-[4-(phenylmethyl)phenoxy]pent-1-ynyl]phenyl]propanoic acid

Systemtic Name: 2-methoxy-3-[4-[5-[4-(phenylmethyl)phenoxy]pent-1-ynyl]phenyl]propanoic acid Openeye Name: 3-[4-[5-(4-benzylphenoxy)pent-1-ynyl]phenyl]-2-methoxy-propanoic acid CAS Name: 2-methoxy-3-[4-[5-[4-(phenylmethyl)phenoxy]pent-1-ynyl]phenyl]propanoic acid IUPAC Name: 3-[4-[5-(4-benzylphenoxy)pent-1-ynyl]phenyl]-2-methoxypropanoic acid Traditional Name: 3-[4-[5-(4-benzylphenoxy)pent-1-ynyl]phenyl]-2-methoxy-propionic acid Formula: C28H28O4 MolecularWeight: 428.51952

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)C#CCCCOC2=CC=C(C=C2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC(CC1=CC=C(C=C1)C#CCCCOC2=CC=C(C=C2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H28O4/c1-31-27(28(29)30)21-25-13-11-22(12-14-25)8-6-3-7-19-32-26-17-15-24(16-18-26)20-23-9-4-2-5-10-23/h2,4-5,9-18,27H,3,7,19-21H2,1H3,(H,29,30)