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

Systemtic Name: 2-[4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[4-(2-butylbenzothiophen-3-yl)phenyl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[4-(2-butylbenzothiophen-3-yl)phenyl]phenoxy]-3-phenyl-propionic acid Formula: C33H30O3S MolecularWeight: 506.6545

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2S1)C3=CC=C(C=C3)C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2S1)C3=CC=C(C=C3)C4=CC=C(C=C4)OC(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C33H30O3S/c1-2-3-12-31-32(28-11-7-8-13-30(28)37-31)26-16-14-24(15-17-26)25-18-20-27(21-19-25)36-29(33(34)35)22-23-9-5-4-6-10-23/h4-11,13-21,29H,2-3,12,22H2,1H3,(H,34,35)