methyl 1-cyclohexylcarbonyl-5-[(4-methylphenyl)methylcarbamoyl]-2-(2-nitrophenyl)pyrrolidine-3-carboxylate

Systemtic Name: methyl 1-cyclohexylcarbonyl-5-[(4-methylphenyl)methylcarbamoyl]-2-(2-nitrophenyl)pyrrolidine-3-carboxylate Openeye Name: methyl 1-(cyclohexanecarbonyl)-2-(2-nitrophenyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 1-[cyclohexyl(oxo)methyl]-5-[[(4-methylphenyl)methylamino]-oxomethyl]-2-(2-nitrophenyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(cyclohexanecarbonyl)-5-[(4-methylphenyl)methylcarbamoyl]-2-(2-nitrophenyl)pyrrolidine-3-carboxylate Traditional Name: 1-(cyclohexanecarbonyl)-5-[(4-methylbenzyl)carbamoyl]-2-(2-nitrophenyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C28H33N3O6 MolecularWeight: 507.57812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3CCCCC3)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3CCCCC3)C4=CC=CC=C4[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C28H33N3O6/c1-18-12-14-19(15-13-18)17-29-26(32)24-16-22(28(34)37-2)25(21-10-6-7-11-23(21)31(35)36)30(24)27(33)20-8-4-3-5-9-20/h6-7,10-15,20,22,24-25H,3-5,8-9,16-17H2,1-2H3,(H,29,32)