4-(4-cyanophenyl)carbonyl-1-cyclobutylcarbonyl-3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(4-cyanophenyl)carbonyl-1-cyclobutylcarbonyl-3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-cyanobenzoyl)-1-(cyclobutanecarbonyl)-3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-pyrrolidine-2-carboxylic acid CAS Name: 4-[(4-cyanophenyl)-oxomethyl]-1-[cyclobutyl(oxo)methyl]-3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-cyanobenzoyl)-1-(cyclobutanecarbonyl)-3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-methylpyrrolidine-2-carboxylic acid Traditional Name: 4-(4-cyanobenzoyl)-1-(cyclobutanecarbonyl)-3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-2-methyl-proline Formula: C33H31FN2O6 MolecularWeight: 570.607443

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CCC2)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)C#N)C5=CC(=C(C=C5)OC)OC)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CCC2)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)C#N)C5=CC(=C(C=C5)OC)OC)C(=O)O

InChI

InChI=1S/C33H31FN2O6/c1-33(32(39)40)28(23-13-16-25(41-2)26(17-23)42-3)27(30(37)21-9-7-19(18-35)8-10-21)29(20-11-14-24(34)15-12-20)36(33)31(38)22-5-4-6-22/h7-17,22,27-29H,4-6H2,1-3H3,(H,39,40)