2-[5-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]pentyl]sulfanylethanoic acid

Systemtic Name: 2-[5-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]pentyl]sulfanylethanoic acid Openeye Name: 2-[5-phenyl-1-[4-(2-quinolylmethoxy)phenyl]pentyl]sulfanylacetic acid CAS Name: 2-[[5-phenyl-1-[4-(2-quinolinylmethoxy)phenyl]pentyl]thio]acetic acid IUPAC Name: 2-[5-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]pentyl]sulfanylacetic acid Traditional Name: 2-[[5-phenyl-1-[4-(2-quinolylmethoxy)phenyl]pentyl]thio]acetic acid Formula: C29H29NO3S MolecularWeight: 471.61046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)SCC(=O)O

InChI

InChI=1S/C29H29NO3S/c31-29(32)21-34-28(13-7-4-10-22-8-2-1-3-9-22)24-15-18-26(19-16-24)33-20-25-17-14-23-11-5-6-12-27(23)30-25/h1-3,5-6,8-9,11-12,14-19,28H,4,7,10,13,20-21H2,(H,31,32)