5-[[5-carbamimidoyl-2-[[(3-methylphenyl)carbonylamino]methyl]phenoxy]methyl]-2-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 5-[[5-carbamimidoyl-2-[[(3-methylphenyl)carbonylamino]methyl]phenoxy]methyl]-2-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-[[5-carbamimidoyl-2-[[(3-methylbenzoyl)amino]methyl]phenoxy]methyl]-2-methyl-pyrazole-3-carboxylic acid CAS Name: 5-[[5-carbamimidoyl-2-[[[(3-methylphenyl)-oxomethyl]amino]methyl]phenoxy]methyl]-2-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-[[5-carbamimidoyl-2-[[(3-methylbenzoyl)amino]methyl]phenoxy]methyl]-2-methylpyrazole-3-carboxylic acid Traditional Name: 5-[[5-amidino-2-[(m-toluoylamino)methyl]phenoxy]methyl]-2-methyl-pyrazole-3-carboxylic acid Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC3=NN(C(=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC3=NN(C(=C3)C(=O)O)C

InChI

InChI=1S/C22H23N5O4/c1-13-4-3-5-15(8-13)21(28)25-11-16-7-6-14(20(23)24)9-19(16)31-12-17-10-18(22(29)30)27(2)26-17/h3-10H,11-12H2,1-2H3,(H3,23,24)(H,25,28)(H,29,30)