4-[[2-(4-carbamimidoylphenyl)-4-ethoxy-pyrimidin-5-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(4-carbamimidoylphenyl)-4-ethoxy-pyrimidin-5-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(4-carbamimidoylphenyl)-4-ethoxy-pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(4-carbamimidoylphenyl)-4-ethoxy-5-pyrimidinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(4-carbamimidoylphenyl)-4-ethoxypyrimidine-5-carbonyl]-methylamino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-(4-amidinophenyl)-4-ethoxy-pyrimidine-5-carbonyl]-methyl-amino]cyclohexanecarboxylic acid Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC=C1C(=O)N(C)C2CCC(CC2)C(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC1=NC(=NC=C1C(=O)N(C)C2CCC(CC2)C(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H27N5O4/c1-3-31-20-17(21(28)27(2)16-10-8-15(9-11-16)22(29)30)12-25-19(26-20)14-6-4-13(5-7-14)18(23)24/h4-7,12,15-16H,3,8-11H2,1-2H3,(H3,23,24)(H,29,30)