3-(4-tert-butylphenyl)-1-cyclopropylcarbonyl-5-(4-fluorophenyl)-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-1-cyclopropylcarbonyl-5-(4-fluorophenyl)-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-(cyclopropanecarbonyl)-5-(4-fluorophenyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[cyclopropyl(oxo)methyl]-5-(4-fluorophenyl)-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-(cyclopropanecarbonyl)-5-(4-fluorophenyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-(cyclopropanecarbonyl)-5-(4-fluorophenyl)-2-methyl-4-(2-thenoyl)proline Formula: C31H32FNO4S MolecularWeight: 533.653483

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CC2)C3=CC=C(C=C3)F)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CC2)C3=CC=C(C=C3)F)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C(C)(C)C)C(=O)O

InChI

InChI=1S/C31H32FNO4S/c1-30(2,3)21-13-9-18(10-14-21)25-24(27(34)23-6-5-17-38-23)26(19-11-15-22(32)16-12-19)33(28(35)20-7-8-20)31(25,4)29(36)37/h5-6,9-17,20,24-26H,7-8H2,1-4H3,(H,36,37)