3-(4-fluorophenyl)-2-methyl-4-(3-methylphenyl)carbonyl-5-(3-nitrophenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-fluorophenyl)-2-methyl-4-(3-methylphenyl)carbonyl-5-(3-nitrophenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-fluorophenyl)-2-methyl-4-(3-methylbenzoyl)-5-(3-nitrophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-fluorophenyl)-2-methyl-4-[(3-methylphenyl)-oxomethyl]-5-(3-nitrophenyl)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-fluorophenyl)-2-methyl-4-(3-methylbenzoyl)-5-(3-nitrophenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-fluorophenyl)-2-methyl-4-m-toluoyl-5-(3-nitrophenyl)-1-(2-thenoyl)proline Formula: C31H25FN2O6S MolecularWeight: 572.603403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CS4)(C)C(=O)O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2C(C(N(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=CS4)(C)C(=O)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H25FN2O6S/c1-18-6-3-8-21(16-18)28(35)25-26(19-11-13-22(32)14-12-19)31(2,30(37)38)33(29(36)24-10-5-15-41-24)27(25)20-7-4-9-23(17-20)34(39)40/h3-17,25-27H,1-2H3,(H,37,38)