(phenylmethyl) 2-[[3-(5-methyl-2-propan-2-yl-phenoxy)-5-nitro-phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[3-(5-methyl-2-propan-2-yl-phenoxy)-5-nitro-phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[3-(2-isopropyl-5-methyl-phenoxy)-5-nitro-phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[3-(5-methyl-2-propan-2-ylphenoxy)-5-nitroanilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-(5-methyl-2-propan-2-ylphenoxy)-5-nitrophenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[3-(2-isopropyl-5-methyl-phenoxy)-5-nitro-phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O6/c1-19(2)25-12-11-20(3)14-27(25)38-24-16-22(15-23(17-24)32(35)36)30-28(33)26-10-7-13-31(26)29(34)37-18-21-8-5-4-6-9-21/h4-6,8-9,11-12,14-17,19,26H,7,10,13,18H2,1-3H3,(H,30,33)