4-[[[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-hydroxy-pyrrolidine-2-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-4-hydroxy-2-pyrrolidinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-4-hydroxypyrrolidine-2-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-4-hydroxy-prolyl]amino]methyl]benzoic acid Formula: C20H19ClN6O4 MolecularWeight: 442.85566

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCC2=CC=C(C=C2)C(=O)O)C3=CC(=NC(=N3)N4C=CN=C4)Cl)O

Isomeric SMILES

C1C(CN(C1C(=O)NCC2=CC=C(C=C2)C(=O)O)C3=CC(=NC(=N3)N4C=CN=C4)Cl)O

InChI

InChI=1S/C20H19ClN6O4/c21-16-8-17(25-20(24-16)26-6-5-22-11-26)27-10-14(28)7-15(27)18(29)23-9-12-1-3-13(4-2-12)19(30)31/h1-6,8,11,14-15,28H,7,9-10H2,(H,23,29)(H,30,31)