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

Systemtic Name: methyl 3-[4-[4-aminocarbonyl-3-(4-carbamimidoylphenyl)-1H-pyrazol-5-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-4-carbamoyl-1H-pyrazol-5-yl]phenyl]propanoate CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-4-carbamoyl-1H-pyrazol-5-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-4-carbamoyl-1H-pyrazol-5-yl]phenyl]propanoate Traditional Name: 3-[4-[3-(4-amidinophenyl)-4-carbamoyl-1H-pyrazol-5-yl]phenyl]propionic acid methyl ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2=C(C(=NN2)C3=CC=C(C=C3)C(=N)N)C(=O)N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2=C(C(=NN2)C3=CC=C(C=C3)C(=N)N)C(=O)N

InChI

InChI=1S/C21H21N5O3/c1-29-16(27)11-4-12-2-5-13(6-3-12)18-17(21(24)28)19(26-25-18)14-7-9-15(10-8-14)20(22)23/h2-3,5-10H,4,11H2,1H3,(H3,22,23)(H2,24,28)(H,25,26)