5-(4-cyanophenyl)-1-cyclopentylcarbonyl-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-1-cyclopentylcarbonyl-4-(4-methylphenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-1-(cyclopentanecarbonyl)-4-(4-methylbenzoyl)-3-(2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-1-[cyclopentyl(oxo)methyl]-4-[(4-methylphenyl)-oxomethyl]-3-thiophen-2-yl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-1-(cyclopentanecarbonyl)-4-(4-methylbenzoyl)-3-thiophen-2-ylpyrrolidine-2-carboxylic acid Traditional Name: 5-(4-cyanophenyl)-1-(cyclopentanecarbonyl)-4-p-toluoyl-3-(2-thienyl)proline Formula: C30H28N2O4S MolecularWeight: 512.61932

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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)C4CCCC4)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)C4CCCC4)C(=O)O)C5=CC=CS5

InChI

InChI=1S/C30H28N2O4S/c1-18-8-12-21(13-9-18)28(33)25-24(23-7-4-16-37-23)27(30(35)36)32(29(34)22-5-2-3-6-22)26(25)20-14-10-19(17-31)11-15-20/h4,7-16,22,24-27H,2-3,5-6H2,1H3,(H,35,36)