butyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoate hydrochloride

Systemtic Name: butyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoate hydrochloride Openeye Name: butyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]phenyl]propanoic acid butyl ester hydrochloride IUPAC Name: butyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]phenyl]propionic acid butyl ester hydrochloride Formula: C23H29ClN4O3 MolecularWeight: 444.95436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CCCCOC(=O)CCC1=CC=C(C=C1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C23H28N4O3.ClH/c1-2-3-16-30-21(28)13-6-17-4-9-19(10-5-17)26-14-15-27(23(26)29)20-11-7-18(8-12-20)22(24)25;/h4-5,7-12H,2-3,6,13-16H2,1H3,(H3,24,25);1H