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

Systemtic Name: methyl 1-(3,3-dimethylbutanoyl)-5-[(4-methylphenyl)methylcarbamoyl]-2-(2-nitrophenyl)pyrrolidine-3-carboxylate Openeye Name: methyl 1-(3,3-dimethylbutanoyl)-2-(2-nitrophenyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 1-(3,3-dimethyl-1-oxobutyl)-5-[[(4-methylphenyl)methylamino]-oxomethyl]-2-(2-nitrophenyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3,3-dimethylbutanoyl)-5-[(4-methylphenyl)methylcarbamoyl]-2-(2-nitrophenyl)pyrrolidine-3-carboxylate Traditional Name: 1-(3,3-dimethylbutanoyl)-5-[(4-methylbenzyl)carbamoyl]-2-(2-nitrophenyl)pyrrolidine-3-carboxylic acid methyl ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H33N3O6/c1-17-10-12-18(13-11-17)16-28-25(32)22-14-20(26(33)36-5)24(29(22)23(31)15-27(2,3)4)19-8-6-7-9-21(19)30(34)35/h6-13,20,22,24H,14-16H2,1-5H3,(H,28,32)