(4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(1-methylpyrrolidin-3-yl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(1-methylpyrrolidin-3-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(1-methylpyrrolidin-3-yl)pyrrolidine-1-carboxylate CAS Name: 4-[(4-methoxyphenyl)methylthio]-2-(1-methyl-3-pyrrolidinyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(1-methylpyrrolidin-3-yl)pyrrolidine-1-carboxylate Traditional Name: 2-(1-methylpyrrolidin-3-yl)-4-(p-anisylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H31N3O5S MolecularWeight: 485.59574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)OC

Isomeric SMILES

CN1CCC(C1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H31N3O5S/c1-26-12-11-20(14-26)24-13-23(34-17-19-5-9-22(32-2)10-6-19)15-27(24)25(29)33-16-18-3-7-21(8-4-18)28(30)31/h3-10,20,23-24H,11-17H2,1-2H3