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

Systemtic Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-5-methyl-1H-imidazol-2-yl]phenyl]propanoate Openeye Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-5-methyl-1H-imidazol-2-yl]phenyl]propanoate CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-5-methyl-1H-imidazol-2-yl]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-5-methyl-1H-imidazol-2-yl]phenyl]propanoate Traditional Name: 3-[4-[4-(4-amidinophenyl)-5-methyl-1H-imidazol-2-yl]phenyl]propionic acid methyl ester Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2=CC=C(C=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(N=C(N1)C2=CC=C(C=C2)CCC(=O)OC)C3=CC=C(C=C3)C(=N)N

InChI

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