2-[3-[3-(quinolin-2-ylmethoxy)phenyl]propylsulfanyl]ethanoic acid

Systemtic Name: 2-[3-[3-(quinolin-2-ylmethoxy)phenyl]propylsulfanyl]ethanoic acid Openeye Name: 2-[3-[3-(2-quinolylmethoxy)phenyl]propylsulfanyl]acetic acid CAS Name: 2-[3-[3-(2-quinolinylmethoxy)phenyl]propylthio]acetic acid IUPAC Name: 2-[3-[3-(quinolin-2-ylmethoxy)phenyl]propylsulfanyl]acetic acid Traditional Name: 2-[3-[3-(2-quinolylmethoxy)phenyl]propylthio]acetic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)CCCSCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)CCCSCC(=O)O

InChI

InChI=1S/C21H21NO3S/c23-21(24)15-26-12-4-6-16-5-3-8-19(13-16)25-14-18-11-10-17-7-1-2-9-20(17)22-18/h1-3,5,7-11,13H,4,6,12,14-15H2,(H,23,24)