1-[(4-fluorophenyl)carbamoyl]-2-methyl-5-(4-methylphenyl)-4-(4-nitrophenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(4-fluorophenyl)carbamoyl]-2-methyl-5-(4-methylphenyl)-4-(4-nitrophenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(4-nitrobenzoyl)-5-(p-tolyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-fluoroanilino)-oxomethyl]-2-methyl-5-(4-methylphenyl)-4-[(4-nitrophenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)carbamoyl]-2-methyl-5-(4-methylphenyl)-4-(4-nitrobenzoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-fluorophenyl)carbamoyl]-2-methyl-4-(4-nitrobenzoyl)-5-(p-tolyl)-3-(2-thienyl)proline Formula: C31H26FN3O6S MolecularWeight: 587.618043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)NC3=CC=C(C=C3)F)(C)C(=O)O)C4=CC=CS4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(C(N2C(=O)NC3=CC=C(C=C3)F)(C)C(=O)O)C4=CC=CS4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H26FN3O6S/c1-18-5-7-19(8-6-18)27-25(28(36)20-9-15-23(16-10-20)35(40)41)26(24-4-3-17-42-24)31(2,29(37)38)34(27)30(39)33-22-13-11-21(32)12-14-22/h3-17,25-27H,1-2H3,(H,33,39)(H,37,38)