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

Systemtic Name: 5-(4-cyanophenyl)-1-cyclohexylcarbonyl-3-(4-fluorophenyl)-2-methyl-4-(3-methylphenyl)carbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-2-methyl-4-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-1-[cyclohexyl(oxo)methyl]-3-(4-fluorophenyl)-2-methyl-4-[(3-methylphenyl)-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-2-methyl-4-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-2-methyl-4-m-toluoyl-proline Formula: C34H33FN2O4 MolecularWeight: 552.635223

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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)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)C(=O)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C34H33FN2O4/c1-21-7-6-10-26(19-21)31(38)28-29(23-15-17-27(35)18-16-23)34(2,33(40)41)37(32(39)25-8-4-3-5-9-25)30(28)24-13-11-22(20-36)12-14-24/h6-7,10-19,25,28-30H,3-5,8-9H2,1-2H3,(H,40,41)