4-[[3-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[3-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[3-(2-quinolylmethoxy)phenyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[3-(2-quinolinylmethoxy)phenyl]thio]methyl]benzoic acid IUPAC Name: 4-[[3-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[3-(2-quinolylmethoxy)phenyl]thio]methyl]benzoic acid Formula: C24H19NO3S MolecularWeight: 401.47756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC(=CC=C3)SCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC(=CC=C3)SCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H19NO3S/c26-24(27)19-10-8-17(9-11-19)16-29-22-6-3-5-21(14-22)28-15-20-13-12-18-4-1-2-7-23(18)25-20/h1-14H,15-16H2,(H,26,27)