2-[4-[(3-butyl-4-methylsulfanyl-1H-quinolin-4-yl)oxymethyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(3-butyl-4-methylsulfanyl-1H-quinolin-4-yl)oxymethyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-butyl-4-methylsulfanyl-1H-quinolin-4-yl)oxymethyl]phenyl]benzoic acid CAS Name: 2-[4-[[3-butyl-4-(methylthio)-1H-quinolin-4-yl]oxymethyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butyl-4-methylsulfanyl-1H-quinolin-4-yl)oxymethyl]phenyl]benzoic acid Traditional Name: 2-[4-[[3-butyl-4-(methylthio)-1H-quinolin-4-yl]oxymethyl]phenyl]benzoic acid Formula: C28H29NO3S MolecularWeight: 459.59976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CNC2=CC=CC=C2C1(OCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)SC

Isomeric SMILES

CCCCC1=CNC2=CC=CC=C2C1(OCC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)SC

InChI

InChI=1S/C28H29NO3S/c1-3-4-9-22-18-29-26-13-8-7-12-25(26)28(22,33-2)32-19-20-14-16-21(17-15-20)23-10-5-6-11-24(23)27(30)31/h5-8,10-18,29H,3-4,9,19H2,1-2H3,(H,30,31)