ethyl 5-[[5-carbamimidoyl-2-[[(3-methylphenyl)carbonylamino]methyl]phenoxy]methyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[[5-carbamimidoyl-2-[[(3-methylphenyl)carbonylamino]methyl]phenoxy]methyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[[5-carbamimidoyl-2-[[(3-methylbenzoyl)amino]methyl]phenoxy]methyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[5-carbamimidoyl-2-[[[(3-methylphenyl)-oxomethyl]amino]methyl]phenoxy]methyl]-2-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[5-carbamimidoyl-2-[[(3-methylbenzoyl)amino]methyl]phenoxy]methyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[[5-amidino-2-[(m-toluoylamino)methyl]phenoxy]methyl]-2-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NN1C)COC2=C(C=CC(=C2)C(=N)N)CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=NN1C)COC2=C(C=CC(=C2)C(=N)N)CNC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C24H27N5O4/c1-4-32-24(31)20-12-19(28-29(20)3)14-33-21-11-16(22(25)26)8-9-18(21)13-27-23(30)17-7-5-6-15(2)10-17/h5-12H,4,13-14H2,1-3H3,(H3,25,26)(H,27,30)