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

Systemtic Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2.ClH/c1-26-18(25)11-4-13-2-5-16(6-3-13)20-23-12-17(24-20)14-7-9-15(10-8-14)19(21)22;/h2-3,5-10,12H,4,11H2,1H3,(H3,21,22)(H,23,24);1H