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

Systemtic Name: methyl 3-[[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]amino]propanoate Openeye Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]anilino]propanoate CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]anilino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]anilino]propanoate Traditional Name: 3-[4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]anilino]propionic acid methyl ester Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC1=CC=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCNC1=CC=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H21N5O2/c1-27-18(26)10-11-23-16-8-6-15(7-9-16)20-24-12-17(25-20)13-2-4-14(5-3-13)19(21)22/h2-9,12,23H,10-11H2,1H3,(H3,21,22)(H,24,25)