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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)N

Isomeric SMILES

COC(=O)CCC1=C(C=C(C=C1)C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)N

InChI

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