[5-[[3-cyclopentylpropanoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate

Systemtic Name: [5-[[3-cyclopentylpropanoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate Openeye Name: [5-[[3-cyclopentylpropanoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [5-[[(3-cyclopentyl-1-oxopropyl)-(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[3-cyclopentylpropanoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate Traditional Name: methanesulfonic acid [5-[[3-cyclopentylpropanoyl(2-methoxyethyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H31NO6S MolecularWeight: 413.52824

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)CCC2CCCC2

Isomeric SMILES

COCCN(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C)C(=O)CCC2CCCC2

InChI

InChI=1S/C20H31NO6S/c1-25-13-12-21(20(22)11-9-16-6-4-5-7-16)15-17-8-10-18(26-2)19(14-17)27-28(3,23)24/h8,10,14,16H,4-7,9,11-13,15H2,1-3H3