4-[2-(6-methoxypyridin-3-yl)-1-phenyl-imidazol-4-yl]carbonylpiperazine-1-carboxylic acid

Systemtic Name: 4-[2-(6-methoxypyridin-3-yl)-1-phenyl-imidazol-4-yl]carbonylpiperazine-1-carboxylic acid Openeye Name: 4-[2-(6-methoxy-3-pyridyl)-1-phenyl-imidazole-4-carbonyl]piperazine-1-carboxylic acid CAS Name: 4-[[2-(6-methoxy-3-pyridinyl)-1-phenyl-4-imidazolyl]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(6-methoxypyridin-3-yl)-1-phenylimidazole-4-carbonyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-(6-methoxy-3-pyridyl)-1-phenyl-imidazole-4-carbonyl]piperazine-1-carboxylic acid Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C2=NC(=CN2C3=CC=CC=C3)C(=O)N4CCN(CC4)C(=O)O

Isomeric SMILES

COC1=NC=C(C=C1)C2=NC(=CN2C3=CC=CC=C3)C(=O)N4CCN(CC4)C(=O)O

InChI

InChI=1S/C21H21N5O4/c1-30-18-8-7-15(13-22-18)19-23-17(14-26(19)16-5-3-2-4-6-16)20(27)24-9-11-25(12-10-24)21(28)29/h2-8,13-14H,9-12H2,1H3,(H,28,29)