3,5-bis(4-cyanophenyl)-1-cyclohexylcarbonyl-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3,5-bis(4-cyanophenyl)-1-cyclohexylcarbonyl-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3,5-bis(4-cyanophenyl)-1-(cyclohexanecarbonyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3,5-bis(4-cyanophenyl)-1-[cyclohexyl(oxo)methyl]-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3,5-bis(4-cyanophenyl)-1-(cyclohexanecarbonyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3,5-bis(4-cyanophenyl)-1-(cyclohexanecarbonyl)-2-methyl-4-(2-thenoyl)proline Formula: C32H29N3O4S MolecularWeight: 551.65536

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCCCC2)C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C#N)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CCCCC2)C3=CC=C(C=C3)C#N)C(=O)C4=CC=CS4)C5=CC=C(C=C5)C#N)C(=O)O

InChI

InChI=1S/C32H29N3O4S/c1-32(31(38)39)27(22-13-9-20(18-33)10-14-22)26(29(36)25-8-5-17-40-25)28(23-15-11-21(19-34)12-16-23)35(32)30(37)24-6-3-2-4-7-24/h5,8-17,24,26-28H,2-4,6-7H2,1H3,(H,38,39)