3-(4-cyanophenyl)-1-(4-fluorophenyl)carbonyl-5-pyridin-3-yl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-cyanophenyl)-1-(4-fluorophenyl)carbonyl-5-pyridin-3-yl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-cyanophenyl)-1-(4-fluorobenzoyl)-5-(3-pyridyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-cyanophenyl)-1-[(4-fluorophenyl)-oxomethyl]-4-[oxo(thiophen-2-yl)methyl]-5-(3-pyridinyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-cyanophenyl)-1-(4-fluorobenzoyl)-5-pyridin-3-yl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-cyanophenyl)-1-(4-fluorobenzoyl)-5-(3-pyridyl)-4-(2-thenoyl)proline Formula: C29H20FN3O4S MolecularWeight: 525.550203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2C(C(C(N2C(=O)C3=CC=C(C=C3)F)C(=O)O)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CS5

Isomeric SMILES

C1=CC(=CN=C1)C2C(C(C(N2C(=O)C3=CC=C(C=C3)F)C(=O)O)C4=CC=C(C=C4)C#N)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H20FN3O4S/c30-21-11-9-19(10-12-21)28(35)33-25(20-3-1-13-32-16-20)24(27(34)22-4-2-14-38-22)23(26(33)29(36)37)18-7-5-17(15-31)6-8-18/h1-14,16,23-26H,(H,36,37)