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

Systemtic Name: 3-(4-tert-butylphenyl)-5-(4-dimethylaminophenyl)-1-(2-methoxyethanoyl)-2-methyl-4-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-5-(4-dimethylaminophenyl)-1-(2-methoxyacetyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-5-(4-dimethylaminophenyl)-1-(2-methoxy-1-oxoethyl)-2-methyl-4-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-5-(4-dimethylaminophenyl)-1-(2-methoxyacetyl)-2-methyl-4-(thiophene-2-carbonyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-5-(4-dimethylaminophenyl)-1-(2-methoxyacetyl)-2-methyl-4-(2-thenoyl)proline Formula: C32H38N2O5S MolecularWeight: 562.71952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)COC)C2=CC=C(C=C2)N(C)C)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(C)(C)C)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)COC)C2=CC=C(C=C2)N(C)C)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(C)(C)C)C(=O)O

InChI

InChI=1S/C32H38N2O5S/c1-31(2,3)22-14-10-20(11-15-22)27-26(29(36)24-9-8-18-40-24)28(21-12-16-23(17-13-21)33(5)6)34(25(35)19-39-7)32(27,4)30(37)38/h8-18,26-28H,19H2,1-7H3,(H,37,38)