5-(4-cyanophenyl)-4-(2,5-dimethylfuran-3-yl)carbonyl-3-(4-methoxyphenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-4-(2,5-dimethylfuran-3-yl)carbonyl-3-(4-methoxyphenyl)-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-4-[(2,5-dimethyl-3-furanyl)-oxomethyl]-3-(4-methoxyphenyl)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-4-(2,5-dimethylfuran-3-carbonyl)-3-(4-methoxyphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-4-(2,5-dimethyl-3-furoyl)-3-(4-methoxyphenyl)-1-(2-thenoyl)proline Formula: C31H26N2O6S MolecularWeight: 554.61294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C(=O)O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)C2C(C(N(C2C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C(=O)O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C31H26N2O6S/c1-17-15-23(18(2)39-17)29(34)26-25(20-10-12-22(38-3)13-11-20)28(31(36)37)33(30(35)24-5-4-14-40-24)27(26)21-8-6-19(16-32)7-9-21/h4-15,25-28H,1-3H3,(H,36,37)