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

Systemtic Name: methyl 2-(4-cyanophenyl)-1-(3-cyclopentylpropanoyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Openeye Name: methyl 2-(4-cyanophenyl)-1-(3-cyclopentylpropanoyl)-5-(p-tolylmethylcarbamoyl)pyrrolidine-3-carboxylate CAS Name: 2-(4-cyanophenyl)-1-(3-cyclopentyl-1-oxopropyl)-5-[[(4-methylphenyl)methylamino]-oxomethyl]-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-cyanophenyl)-1-(3-cyclopentylpropanoyl)-5-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylate Traditional Name: 2-(4-cyanophenyl)-1-(3-cyclopentylpropanoyl)-5-[(4-methylbenzyl)carbamoyl]pyrrolidine-3-carboxylic acid methyl ester Formula: C30H35N3O4 MolecularWeight: 501.6166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)CCC3CCCC3)C4=CC=C(C=C4)C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC(C(N2C(=O)CCC3CCCC3)C4=CC=C(C=C4)C#N)C(=O)OC

InChI

InChI=1S/C30H35N3O4/c1-20-7-9-23(10-8-20)19-32-29(35)26-17-25(30(36)37-2)28(24-14-11-22(18-31)12-15-24)33(26)27(34)16-13-21-5-3-4-6-21/h7-12,14-15,21,25-26,28H,3-6,13,16-17,19H2,1-2H3,(H,32,35)