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

Systemtic Name: methyl 2-(4-cyanophenyl)-1-cyclohexylcarbonyl-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: methyl 2-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 2-(4-cyanophenyl)-1-[cyclohexyl(oxo)methyl]-5-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-5-[(4-methylbenzyl)carbamoyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3CCCCC3)C4=CC=C(C=C4)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)C3CCCCC3)C4=CC=C(C=C4)C#N)C(=O)OC

InChI

InChI=1S/C29H33N3O4/c1-19-8-10-21(11-9-19)18-31-27(33)25-16-24(29(35)36-2)26(22-14-12-20(17-30)13-15-22)32(25)28(34)23-6-4-3-5-7-23/h8-15,23-26H,3-7,16,18H2,1-2H3,(H,31,33)