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

Systemtic Name: 1-cyclohexylcarbonyl-3-(4-fluorophenyl)-4-(3-methylphenyl)carbonyl-5-pyridin-3-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-4-(3-methylbenzoyl)-5-(3-pyridyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[cyclohexyl(oxo)methyl]-3-(4-fluorophenyl)-4-[(3-methylphenyl)-oxomethyl]-5-(3-pyridinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-4-(3-methylbenzoyl)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-(cyclohexanecarbonyl)-3-(4-fluorophenyl)-4-m-toluoyl-5-(3-pyridyl)proline Formula: C31H31FN2O4 MolecularWeight: 514.587243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31FN2O4/c1-19-7-5-10-22(17-19)29(35)26-25(20-12-14-24(32)15-13-20)28(31(37)38)34(27(26)23-11-6-16-33-18-23)30(36)21-8-3-2-4-9-21/h5-7,10-18,21,25-28H,2-4,8-9H2,1H3,(H,37,38)