1-(4-cyanophenyl)carbonyl-4-methoxycarbonyl-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)carbonyl-4-methoxycarbonyl-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(4-cyanobenzoyl)-2-isobutyl-4-methoxycarbonyl-5-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-cyanophenyl)-oxomethyl]-4-methoxycarbonyl-2-(2-methylpropyl)-5-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(4-cyanobenzoyl)-4-methoxycarbonyl-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-1-(4-cyanobenzoyl)-2-isobutyl-5-(2-thienyl)proline Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C(N1C(=O)C2=CC=C(C=C2)C#N)C3=CC=CS3)C(=O)OC)C(=O)O

Isomeric SMILES

CC(C)CC1(CC(C(N1C(=O)C2=CC=C(C=C2)C#N)C3=CC=CS3)C(=O)OC)C(=O)O

InChI

InChI=1S/C23H24N2O5S/c1-14(2)11-23(22(28)29)12-17(21(27)30-3)19(18-5-4-10-31-18)25(23)20(26)16-8-6-15(13-24)7-9-16/h4-10,14,17,19H,11-12H2,1-3H3,(H,28,29)