(4-nitrophenyl)methyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-methyl-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-methyl-2-(2-methylolpyrrolidino)-4-(tritylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C37H39N3O5S MolecularWeight: 637.78766

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N6CCCC6CO

Isomeric SMILES

CC1(CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N6CCCC6CO

InChI

InChI=1S/C37H39N3O5S/c1-36(38-23-11-18-33(38)26-41)24-34(25-39(36)35(42)45-27-28-19-21-32(22-20-28)40(43)44)46-37(29-12-5-2-6-13-29,30-14-7-3-8-15-30)31-16-9-4-10-17-31/h2-10,12-17,19-22,33-34,41H,11,18,23-27H2,1H3