[3-[3-(4-tetradecoxyphenyl)propanoylamino]phenyl]methyl methanesulfonate

Systemtic Name: [3-[3-(4-tetradecoxyphenyl)propanoylamino]phenyl]methyl methanesulfonate Openeye Name: [3-[3-(4-tetradecoxyphenyl)propanoylamino]phenyl]methyl methanesulfonate CAS Name: methanesulfonic acid [3-[[1-oxo-3-(4-tetradecoxyphenyl)propyl]amino]phenyl]methyl ester IUPAC Name: [3-[3-(4-tetradecoxyphenyl)propanoylamino]phenyl]methyl methanesulfonate Traditional Name: methanesulfonic acid [3-[3-(4-myristyloxyphenyl)propanoylamino]benzyl] ester Formula: C31H47NO5S MolecularWeight: 545.77358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)COS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC(=O)NC2=CC=CC(=C2)COS(=O)(=O)C

InChI

InChI=1S/C31H47NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-24-36-30-21-18-27(19-22-30)20-23-31(33)32-29-17-15-16-28(25-29)26-37-38(2,34)35/h15-19,21-22,25H,3-14,20,23-24,26H2,1-2H3,(H,32,33)