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

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)pyrazol-1-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)pyrazol-1-yl]phenyl]propanoate CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-1-pyrazolyl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)pyrazol-1-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)pyrazol-1-yl]phenyl]propionic acid methyl ester Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2C=CC(=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2C=CC(=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H20N4O2/c1-26-19(25)11-4-14-2-9-17(10-3-14)24-13-12-18(23-24)15-5-7-16(8-6-15)20(21)22/h2-3,5-10,12-13H,4,11H2,1H3,(H3,21,22)