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

Systemtic Name: methyl 1-(3-methylbutanoyl)-5-[(4-methylphenyl)methylcarbamoyl]-2-(2-nitrophenyl)pyrrolidine-3-carboxylate Openeye Name: methyl 1-(3-methylbutanoyl)-2-(2-nitrophenyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 1-(3-methyl-1-oxobutyl)-5-[[(4-methylphenyl)methylamino]-oxomethyl]-2-(2-nitrophenyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-methylbutanoyl)-5-[(4-methylphenyl)methylcarbamoyl]-2-(2-nitrophenyl)pyrrolidine-3-carboxylate Traditional Name: 1-isovaleryl-5-[(4-methylbenzyl)carbamoyl]-2-(2-nitrophenyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)CC(C)C)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)CC(C)C)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C26H31N3O6/c1-16(2)13-23(30)28-22(25(31)27-15-18-11-9-17(3)10-12-18)14-20(26(32)35-4)24(28)19-7-5-6-8-21(19)29(33)34/h5-12,16,20,22,24H,13-15H2,1-4H3,(H,27,31)