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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N

InChI

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