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

Systemtic Name: 5-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-(4-methylbenzoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-1-[(4-fluoroanilino)-oxomethyl]-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-(4-methylbenzoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-1-[(4-fluorophenyl)carbamoyl]-4-p-toluoyl-3-(2-thienyl)proline Formula: C31H24FN3O4S MolecularWeight: 553.603363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)NC4=CC=C(C=C4)F)C(=O)O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)NC4=CC=C(C=C4)F)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C31H24FN3O4S/c1-18-4-8-21(9-5-18)29(36)26-25(24-3-2-16-40-24)28(30(37)38)35(27(26)20-10-6-19(17-33)7-11-20)31(39)34-23-14-12-22(32)13-15-23/h2-16,25-28H,1H3,(H,34,39)(H,37,38)