methyl 3-[4-[5-(4-carbamimidoylphenyl)-1-methyl-pyrazol-3-yl]phenyl]propanoate

Systemtic Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1-methyl-pyrazol-3-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1-methyl-pyrazol-3-yl]phenyl]propanoate CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-1-methyl-3-pyrazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1-methylpyrazol-3-yl]phenyl]propanoate Traditional Name: 3-[4-[5-(4-amidinophenyl)-1-methyl-pyrazol-3-yl]phenyl]propionic acid methyl ester Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=C(C=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=C(C=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H22N4O2/c1-25-19(16-8-10-17(11-9-16)21(22)23)13-18(24-25)15-6-3-14(4-7-15)5-12-20(26)27-2/h3-4,6-11,13H,5,12H2,1-2H3,(H3,22,23)