5-(4-cyanophenyl)-4-methoxycarbonyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-1-(3-methyl-1-oxobutyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(4-cyanophenyl)-4-methoxycarbonyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-carbomethoxy-5-(4-cyanophenyl)-1-isovaleryl-proline Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(CC(C1C2=CC=C(C=C2)C#N)C(=O)OC)C(=O)O

Isomeric SMILES

CC(C)CC(=O)N1C(CC(C1C2=CC=C(C=C2)C#N)C(=O)OC)C(=O)O

InChI

InChI=1S/C19H22N2O5/c1-11(2)8-16(22)21-15(18(23)24)9-14(19(25)26-3)17(21)13-6-4-12(10-20)5-7-13/h4-7,11,14-15,17H,8-9H2,1-3H3,(H,23,24)