[2-[(3-butyl-4-methylsulfanyl-1H-quinolin-4-yl)oxymethyl]-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [2-[(3-butyl-4-methylsulfanyl-1H-quinolin-4-yl)oxymethyl]-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [2-[(3-butyl-4-methylsulfanyl-1H-quinolin-4-yl)oxymethyl]-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [2-[[3-butyl-4-(methylthio)-1H-quinolin-4-yl]oxymethyl]-6-phenylphenyl] ester IUPAC Name: [2-[(3-butyl-4-methylsulfanyl-1H-quinolin-4-yl)oxymethyl]-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [2-[[3-butyl-4-(methylthio)-1H-quinolin-4-yl]oxymethyl]-6-phenyl-phenyl] ester Formula: C28H29NO4S MolecularWeight: 475.59916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CNC2=CC=CC=C2C1(OCC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)SC

Isomeric SMILES

CCCCC1=CNC2=CC=CC=C2C1(OCC3=CC=CC(=C3OC(=O)O)C4=CC=CC=C4)SC

InChI

InChI=1S/C28H29NO4S/c1-3-4-14-22-18-29-25-17-9-8-16-24(25)28(22,34-2)32-19-21-13-10-15-23(26(21)33-27(30)31)20-11-6-5-7-12-20/h5-13,15-18,29H,3-4,14,19H2,1-2H3,(H,30,31)