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

Systemtic Name: methyl 2-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: methyl 2-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 2-(4-cyanophenyl)-1-(3,3-dimethyl-1-oxobutyl)-5-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-5-[(4-methylbenzyl)carbamoyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C28H33N3O4 MolecularWeight: 475.57932

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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=C(C=C3)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)CC(C)(C)C)C3=CC=C(C=C3)C#N)C(=O)OC

InChI

InChI=1S/C28H33N3O4/c1-18-6-8-20(9-7-18)17-30-26(33)23-14-22(27(34)35-5)25(21-12-10-19(16-29)11-13-21)31(23)24(32)15-28(2,3)4/h6-13,22-23,25H,14-15,17H2,1-5H3,(H,30,33)