[2-methoxy-5-[[2-methylpropyl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [2-methoxy-5-[[2-methylpropyl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [5-[[isobutyl(2-phenylbutanoyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-methoxy-5-[[2-methylpropyl-(1-oxo-2-phenylbutyl)amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methylpropyl(2-phenylbutanoyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[isobutyl(2-phenylbutanoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)CC(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)C)CC(C)C

InChI

InChI=1S/C23H31NO5S/c1-6-20(19-10-8-7-9-11-19)23(25)24(15-17(2)3)16-18-12-13-21(28-4)22(14-18)29-30(5,26)27/h7-14,17,20H,6,15-16H2,1-5H3