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

Systemtic Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-phenylimino-imidazolidin-1-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-phenylimino-imidazolidin-1-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-phenylimino-1-imidazolidinyl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[3-(4-carbamimidoylphenyl)-2-phenyliminoimidazolidin-1-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-phenylimino-imidazolidin-1-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C26H28ClN5O2 MolecularWeight: 477.98582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O2.ClH/c1-33-24(32)16-9-19-7-12-22(13-8-19)30-17-18-31(23-14-10-20(11-15-23)25(27)28)26(30)29-21-5-3-2-4-6-21;/h2-8,10-15H,9,16-18H2,1H3,(H3,27,28);1H