1-[4-(5-octylpyrimidin-2-yl)phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(5-octylpyrimidin-2-yl)phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(5-octylpyrimidin-2-yl)benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-(5-octyl-2-pyrimidinyl)phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(5-octylpyrimidin-2-yl)benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(5-octylpyrimidin-2-yl)benzoyl]proline Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)N3CCCC3C(=O)O

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)N3CCCC3C(=O)O

InChI

InChI=1S/C24H31N3O3/c1-2-3-4-5-6-7-9-18-16-25-22(26-17-18)19-11-13-20(14-12-19)23(28)27-15-8-10-21(27)24(29)30/h11-14,16-17,21H,2-10,15H2,1H3,(H,29,30)