5-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-4-methoxycarbonyl-3-methyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-4-methoxycarbonyl-3-methyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-4-methoxycarbonyl-3-methyl-pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-1-(3,3-dimethyl-1-oxobutyl)-4-methoxycarbonyl-3-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-4-methoxycarbonyl-3-methylpyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-5-(4-cyanophenyl)-1-(3,3-dimethylbutanoyl)-3-methyl-proline Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(N(C1C(=O)O)C(=O)CC(C)(C)C)C2=CC=C(C=C2)C#N)C(=O)OC

Isomeric SMILES

CC1C(C(N(C1C(=O)O)C(=O)CC(C)(C)C)C2=CC=C(C=C2)C#N)C(=O)OC

InChI

InChI=1S/C21H26N2O5/c1-12-16(20(27)28-5)18(14-8-6-13(11-22)7-9-14)23(17(12)19(25)26)15(24)10-21(2,3)4/h6-9,12,16-18H,10H2,1-5H3,(H,25,26)