[2-[(3-butyl-5-methylsulfanyl-quinolin-4-yl)oxymethyl]-6-phenyl-phenyl] methyl carbonate

Systemtic Name: [2-[(3-butyl-5-methylsulfanyl-quinolin-4-yl)oxymethyl]-6-phenyl-phenyl] methyl carbonate Openeye Name: [2-[(3-butyl-5-methylsulfanyl-4-quinolyl)oxymethyl]-6-phenyl-phenyl] methyl carbonate CAS Name: carbonic acid [2-[[3-butyl-5-(methylthio)-4-quinolinyl]oxymethyl]-6-phenylphenyl] methyl ester IUPAC Name: [2-[(3-butyl-5-methylsulfanylquinolin-4-yl)oxymethyl]-6-phenylphenyl] methyl carbonate Traditional Name: carbonic acid [2-[[3-butyl-5-(methylthio)-4-quinolyl]oxymethyl]-6-phenyl-phenyl] methyl ester Formula: C29H29NO4S MolecularWeight: 487.60986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C2C=CC=C(C2=C1OCC3=CC=CC(=C3OC(=O)OC)C4=CC=CC=C4)SC

Isomeric SMILES

CCCCC1=CN=C2C=CC=C(C2=C1OCC3=CC=CC(=C3OC(=O)OC)C4=CC=CC=C4)SC

InChI

InChI=1S/C29H29NO4S/c1-4-5-11-21-18-30-24-16-10-17-25(35-3)26(24)28(21)33-19-22-14-9-15-23(20-12-7-6-8-13-20)27(22)34-29(31)32-2/h6-10,12-18H,4-5,11,19H2,1-3H3