methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-methylimino-imidazolidin-1-yl]phenyl]propanoate hydrochloride

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-methylimino-imidazolidin-1-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-methylimino-imidazolidin-1-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-methylimino-1-imidazolidinyl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-methyliminoimidazolidin-1-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-methylimino-imidazolidin-1-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C21H26ClN5O2 MolecularWeight: 415.91644

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1N(CCN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC.Cl

Isomeric SMILES

CN=C1N(CCN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC.Cl

InChI

InChI=1S/C21H25N5O2.ClH/c1-24-21-25(17-8-3-15(4-9-17)5-12-19(27)28-2)13-14-26(21)18-10-6-16(7-11-18)20(22)23;/h3-4,6-11H,5,12-14H2,1-2H3,(H3,22,23);1H