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

Systemtic Name: 1-[(4-fluorophenyl)carbamoyl]-5-(4-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)carbamoyl]-5-(4-methoxyphenyl)-2-methyl-4-(4-nitrobenzoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-fluoroanilino)-oxomethyl]-5-(4-methoxyphenyl)-2-methyl-4-[(4-nitrophenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)carbamoyl]-5-(4-methoxyphenyl)-2-methyl-4-(4-nitrobenzoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 1-[(4-fluorophenyl)carbamoyl]-5-(4-methoxyphenyl)-2-methyl-4-(4-nitrobenzoyl)-3-(2-thienyl)proline Formula: C31H26FN3O7S MolecularWeight: 603.617443

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CS5)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)NC2=CC=C(C=C2)F)C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CS5)C(=O)O

InChI

InChI=1S/C31H26FN3O7S/c1-31(29(37)38)26(24-4-3-17-43-24)25(28(36)19-5-13-22(14-6-19)35(40)41)27(18-7-15-23(42-2)16-8-18)34(31)30(39)33-21-11-9-20(32)10-12-21/h3-17,25-27H,1-2H3,(H,33,39)(H,37,38)