3-phenyl-2-[4-[4-[2-(pyridin-2-ylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]propanoic acid

Systemtic Name: 3-phenyl-2-[4-[4-[2-(pyridin-2-ylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]propanoic acid Openeye Name: 3-phenyl-2-[4-[4-[2-(2-pyridylmethyl)benzothiophen-3-yl]phenyl]phenoxy]propanoic acid CAS Name: 3-phenyl-2-[4-[4-[2-(2-pyridinylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]propanoic acid IUPAC Name: 3-phenyl-2-[4-[4-[2-(pyridin-2-ylmethyl)-1-benzothiophen-3-yl]phenyl]phenoxy]propanoic acid Traditional Name: 3-phenyl-2-[4-[4-[2-(2-pyridylmethyl)benzothiophen-3-yl]phenyl]phenoxy]propionic acid Formula: C35H27NO3S MolecularWeight: 541.65878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C4=C(SC5=CC=CC=C54)CC6=CC=CC=N6

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C4=C(SC5=CC=CC=C54)CC6=CC=CC=N6

InChI

InChI=1S/C35H27NO3S/c37-35(38)31(22-24-8-2-1-3-9-24)39-29-19-17-26(18-20-29)25-13-15-27(16-14-25)34-30-11-4-5-12-32(30)40-33(34)23-28-10-6-7-21-36-28/h1-21,31H,22-23H2,(H,37,38)