3-[3-(3-phenylphenoxy)-4-prop-1-ynyl-phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[3-(3-phenylphenoxy)-4-prop-1-ynyl-phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-isopropoxy-3-[3-(3-phenylphenoxy)-4-prop-1-ynyl-phenyl]propanoic acid CAS Name: 3-[3-(3-phenylphenoxy)-4-prop-1-ynylphenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[3-(3-phenylphenoxy)-4-prop-1-ynylphenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-isopropoxy-3-[3-(3-phenylphenoxy)-4-prop-1-ynyl-phenyl]propionic acid Formula: C27H26O4 MolecularWeight: 414.49294

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=C(C=C1)CC(C(=O)O)OC(C)C)OC2=CC=CC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC#CC1=C(C=C(C=C1)CC(C(=O)O)OC(C)C)OC2=CC=CC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H26O4/c1-4-9-22-15-14-20(17-26(27(28)29)30-19(2)3)16-25(22)31-24-13-8-12-23(18-24)21-10-6-5-7-11-21/h5-8,10-16,18-19,26H,17H2,1-3H3,(H,28,29)