3-(4-tert-butylphenyl)-5-(4-chlorophenyl)-1-(ethylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-5-(4-chlorophenyl)-1-(ethylcarbamoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-5-(4-chlorophenyl)-1-(ethylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-5-(4-chlorophenyl)-1-(ethylcarbamoyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-5-(4-chlorophenyl)-1-(ethylcarbamoyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-5-(4-chlorophenyl)-1-(ethylcarbamoyl)-4-(2-thenoyl)proline Formula: C29H31ClN2O4S MolecularWeight: 539.08544

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1C(C(C(C1C(=O)O)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC=CS3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCNC(=O)N1C(C(C(C1C(=O)O)C2=CC=C(C=C2)C(C)(C)C)C(=O)C3=CC=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H31ClN2O4S/c1-5-31-28(36)32-24(18-10-14-20(30)15-11-18)23(26(33)21-7-6-16-37-21)22(25(32)27(34)35)17-8-12-19(13-9-17)29(2,3)4/h6-16,22-25H,5H2,1-4H3,(H,31,36)(H,34,35)