2-[2-phenylmethoxy-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-phenylmethoxy-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]sulfanylethanoic acid Openeye Name: 2-[2-benzyloxy-1-[4-(2-quinolylmethoxy)phenyl]ethyl]sulfanylacetic acid CAS Name: 2-[[2-phenylmethoxy-1-[4-(2-quinolinylmethoxy)phenyl]ethyl]thio]acetic acid IUPAC Name: 2-[2-phenylmethoxy-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]sulfanylacetic acid Traditional Name: 2-[[2-benzoxy-1-[4-(2-quinolylmethoxy)phenyl]ethyl]thio]acetic acid Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO4S/c29-27(30)19-33-26(18-31-16-20-6-2-1-3-7-20)22-11-14-24(15-12-22)32-17-23-13-10-21-8-4-5-9-25(21)28-23/h1-15,26H,16-19H2,(H,29,30)