5-(4-cyanophenyl)-1-cyclohexylcarbonyl-3-(4-fluorophenyl)-4-(3-methylphenyl)carbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-1-cyclohexylcarbonyl-3-(4-fluorophenyl)-4-(3-methylphenyl)carbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-4-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-1-[cyclohexyl(oxo)methyl]-3-(4-fluorophenyl)-4-[(3-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-4-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-4-m-toluoyl-proline Formula: C33H31FN2O4 MolecularWeight: 538.608643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4CCCCC4)C(=O)O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4CCCCC4)C(=O)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C33H31FN2O4/c1-20-6-5-9-25(18-20)31(37)28-27(22-14-16-26(34)17-15-22)30(33(39)40)36(32(38)24-7-3-2-4-8-24)29(28)23-12-10-21(19-35)11-13-23/h5-6,9-18,24,27-30H,2-4,7-8H2,1H3,(H,39,40)