methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)carbonylamino]butanoate

Systemtic Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(5-methyl-3-phenyl-1H-pyrazol-4-yl)carbonylamino]butanoate Openeye Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)amino]butanoate CAS Name: 2-[(3-carbamimidoylphenyl)methyl]-3-[[(5-methyl-3-phenyl-1H-pyrazol-4-yl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-carbamimidoylphenyl)methyl]-3-[(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)amino]butanoate Traditional Name: 2-(3-amidinobenzyl)-3-[(5-methyl-3-phenyl-1H-pyrazole-4-carbonyl)amino]butyric acid methyl ester Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C2=CC=CC=C2)C(=O)NC(C)C(CC3=CC=CC(=C3)C(=N)N)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1)C2=CC=CC=C2)C(=O)NC(C)C(CC3=CC=CC(=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C24H27N5O3/c1-14(19(24(31)32-3)13-16-8-7-11-18(12-16)22(25)26)27-23(30)20-15(2)28-29-21(20)17-9-5-4-6-10-17/h4-12,14,19H,13H2,1-3H3,(H3,25,26)(H,27,30)(H,28,29)