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

Systemtic Name: methyl 2-(4-cyanophenyl)-1-(3-methylbutanoyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: methyl 2-(4-cyanophenyl)-1-(3-methylbutanoyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 2-(4-cyanophenyl)-1-(3-methyl-1-oxobutyl)-5-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanophenyl)-1-(3-methylbutanoyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(4-cyanophenyl)-1-isovaleryl-5-[(4-methylbenzyl)carbamoyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4/c1-17(2)13-24(31)30-23(26(32)29-16-20-7-5-18(3)6-8-20)14-22(27(33)34-4)25(30)21-11-9-19(15-28)10-12-21/h5-12,17,22-23,25H,13-14,16H2,1-4H3,(H,29,32)