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

Systemtic Name: methyl 2-(4-cyanophenyl)-1-(3-methylbutanoyl)-5-[(4-methylphenyl)methylcarbamoyl]-4-phenyl-pyrrolidine-3-carboxylate Openeye Name: methyl 2-(4-cyanophenyl)-1-(3-methylbutanoyl)-4-phenyl-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 2-(4-cyanophenyl)-1-(3-methyl-1-oxobutyl)-5-[[(4-methylphenyl)methylamino]-oxomethyl]-4-phenyl-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanophenyl)-1-(3-methylbutanoyl)-5-[(4-methylphenyl)methylcarbamoyl]-4-phenylpyrrolidine-3-carboxylate Traditional Name: 2-(4-cyanophenyl)-1-isovaleryl-5-[(4-methylbenzyl)carbamoyl]-4-phenyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C33H35N3O4 MolecularWeight: 537.6487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2C(C(C(N2C(=O)CC(C)C)C3=CC=C(C=C3)C#N)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2C(C(C(N2C(=O)CC(C)C)C3=CC=C(C=C3)C#N)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C33H35N3O4/c1-21(2)18-27(37)36-30(26-16-14-23(19-34)15-17-26)29(33(39)40-4)28(25-8-6-5-7-9-25)31(36)32(38)35-20-24-12-10-22(3)11-13-24/h5-17,21,28-31H,18,20H2,1-4H3,(H,35,38)