(4-nitrophenyl)methyl 2-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-hydroxy-2-[2-[4-(hydroxymethyl)phenyl]ethyl]pyrrolidine-1-carboxylate CAS Name: 4-hydroxy-2-[2-[4-(hydroxymethyl)phenyl]ethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-hydroxy-2-[2-[4-(hydroxymethyl)phenyl]ethyl]pyrrolidine-1-carboxylate Traditional Name: 4-hydroxy-2-[2-(4-methylolphenyl)ethyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CCC2=CC=C(C=C2)CO)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1C(CN(C1CCC2=CC=C(C=C2)CO)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H24N2O6/c24-13-16-3-1-15(2-4-16)5-10-19-11-20(25)12-22(19)21(26)29-14-17-6-8-18(9-7-17)23(27)28/h1-4,6-9,19-20,24-25H,5,10-14H2