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

Systemtic Name: 3-(4-tert-butylphenyl)-5-(4-chlorophenyl)-1-(2-methoxyethanoyl)-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-5-(4-chlorophenyl)-1-(2-methoxyacetyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-5-(4-chlorophenyl)-1-(2-methoxy-1-oxoethyl)-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-5-(4-chlorophenyl)-1-(2-methoxyacetyl)-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-5-(4-chlorophenyl)-1-(2-methoxyacetyl)-4-(2-thenoyl)proline Formula: C29H30ClNO5S MolecularWeight: 540.0702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)COC)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)O)C(=O)COC)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CS4

InChI

InChI=1S/C29H30ClNO5S/c1-29(2,3)19-11-7-17(8-12-19)23-24(27(33)21-6-5-15-37-21)25(18-9-13-20(30)14-10-18)31(22(32)16-36-4)26(23)28(34)35/h5-15,23-26H,16H2,1-4H3,(H,34,35)