[5-[(2-methylpropan-2-yl)oxycarbonyl-(4-phenoxyphenyl)carbamoyl]pyrrolidin-3-yl] methanesulfonate

Systemtic Name: [5-[(2-methylpropan-2-yl)oxycarbonyl-(4-phenoxyphenyl)carbamoyl]pyrrolidin-3-yl] methanesulfonate Openeye Name: [5-[tert-butoxycarbonyl-(4-phenoxyphenyl)carbamoyl]pyrrolidin-3-yl] methanesulfonate CAS Name: methanesulfonic acid [5-[(N-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenoxyanilino)-oxomethyl]-3-pyrrolidinyl] ester IUPAC Name: [5-[(2-methylpropan-2-yl)oxycarbonyl-(4-phenoxyphenyl)carbamoyl]pyrrolidin-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [5-[tert-butoxycarbonyl-(4-phenoxyphenyl)carbamoyl]pyrrolidin-3-yl] ester Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3CC(CN3)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3CC(CN3)OS(=O)(=O)C

InChI

InChI=1S/C23H28N2O7S/c1-23(2,3)31-22(27)25(21(26)20-14-19(15-24-20)32-33(4,28)29)16-10-12-18(13-11-16)30-17-8-6-5-7-9-17/h5-13,19-20,24H,14-15H2,1-4H3