methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-methoxy-phenyl]propanoate

Systemtic Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-methoxy-phenyl]propanoate Openeye Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-methoxy-phenyl]propanoate CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-methoxyphenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-methoxyphenyl]propanoate Traditional Name: 3-[4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]-2-methoxy-phenyl]propionic acid methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)CCC(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)CCC(=O)OC

InChI

InChI=1S/C21H22N4O3/c1-27-18-11-16(8-5-14(18)9-10-19(26)28-2)21-24-12-17(25-21)13-3-6-15(7-4-13)20(22)23/h3-8,11-12H,9-10H2,1-2H3,(H3,22,23)(H,24,25)