5-[(3-butyl-5-methylsulfanyl-1,4-dihydroquinolin-4-yl)oxymethyl]-2-phenyl-benzoic acid

Systemtic Name: 5-[(3-butyl-5-methylsulfanyl-1,4-dihydroquinolin-4-yl)oxymethyl]-2-phenyl-benzoic acid Openeye Name: 5-[(3-butyl-5-methylsulfanyl-1,4-dihydroquinolin-4-yl)oxymethyl]-2-phenyl-benzoic acid CAS Name: 5-[[3-butyl-5-(methylthio)-1,4-dihydroquinolin-4-yl]oxymethyl]-2-phenylbenzoic acid IUPAC Name: 5-[(3-butyl-5-methylsulfanyl-1,4-dihydroquinolin-4-yl)oxymethyl]-2-phenylbenzoic acid Traditional Name: 5-[[3-butyl-5-(methylthio)-1,4-dihydroquinolin-4-yl]oxymethyl]-2-phenyl-benzoic acid Formula: C28H29NO3S MolecularWeight: 459.59976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CNC2=C(C1OCC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)O)C(=CC=C2)SC

Isomeric SMILES

CCCCC1=CNC2=C(C1OCC3=CC(=C(C=C3)C4=CC=CC=C4)C(=O)O)C(=CC=C2)SC

InChI

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