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

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-pyridin-3-ylimino-imidazolidin-1-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-(3-pyridylimino)imidazolidin-1-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-(3-pyridinylimino)-1-imidazolidinyl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-pyridin-3-yliminoimidazolidin-1-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-(3-pyridylimino)imidazolidin-1-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C25H27ClN6O2 MolecularWeight: 478.97388

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=NC3=CN=CC=C3)C4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N2CCN(C2=NC3=CN=CC=C3)C4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C25H26N6O2.ClH/c1-33-23(32)13-6-18-4-9-21(10-5-18)30-15-16-31(22-11-7-19(8-12-22)24(26)27)25(30)29-20-3-2-14-28-17-20;/h2-5,7-12,14,17H,6,13,15-16H2,1H3,(H3,26,27);1H