tert-butyl N-(2-oxidanyl-3-phenoxy-propyl)-N-[1-oxidanyl-3-[4-(1H-pyrrol-3-ylcarbonylamino)phenyl]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-(2-oxidanyl-3-phenoxy-propyl)-N-[1-oxidanyl-3-[4-(1H-pyrrol-3-ylcarbonylamino)phenyl]propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(hydroxymethyl)-2-[4-(1H-pyrrole-3-carbonylamino)phenyl]ethyl]-N-(2-hydroxy-3-phenoxy-propyl)carbamate CAS Name: N-[1-hydroxy-3-[4-[[oxo(1H-pyrrol-3-yl)methyl]amino]phenyl]propan-2-yl]-N-(2-hydroxy-3-phenoxypropyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(2-hydroxy-3-phenoxypropyl)-N-[1-hydroxy-3-[4-(1H-pyrrole-3-carbonylamino)phenyl]propan-2-yl]carbamate Traditional Name: N-(2-hydroxy-3-phenoxy-propyl)-N-[1-methylol-2-[4-(1H-pyrrole-3-carbonylamino)phenyl]ethyl]carbamic acid tert-butyl ester Formula: C28H35N3O6 MolecularWeight: 509.594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC(COC1=CC=CC=C1)O)C(CC2=CC=C(C=C2)NC(=O)C3=CNC=C3)CO

Isomeric SMILES

CC(C)(C)OC(=O)N(CC(COC1=CC=CC=C1)O)C(CC2=CC=C(C=C2)NC(=O)C3=CNC=C3)CO

InChI

InChI=1S/C28H35N3O6/c1-28(2,3)37-27(35)31(17-24(33)19-36-25-7-5-4-6-8-25)23(18-32)15-20-9-11-22(12-10-20)30-26(34)21-13-14-29-16-21/h4-14,16,23-24,29,32-33H,15,17-19H2,1-3H3,(H,30,34)