ethyl (3E)-3-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-6H-benzimidazol-5-ylidene]-4-oxidanylidene-4-pyrrolidin-1-yl-butanoate hydrochloride

Systemtic Name: ethyl (3E)-3-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-6H-benzimidazol-5-ylidene]-4-oxidanylidene-4-pyrrolidin-1-yl-butanoate hydrochloride Openeye Name: ethyl (3E)-3-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-6H-benzimidazol-5-ylidene]-4-oxo-4-pyrrolidin-1-yl-butanoate hydrochloride CAS Name: (3E)-3-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-6H-benzimidazol-5-ylidene]-4-oxo-4-(1-pyrrolidinyl)butanoic acid ethyl ester hydrochloride IUPAC Name: ethyl (3E)-3-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-6H-benzimidazol-5-ylidene]-4-oxo-4-pyrrolidin-1-ylbutanoate hydrochloride Traditional Name: (3E)-3-[2-(4-amidinobenzyl)-1-methyl-6H-benzimidazol-5-ylidene]-4-keto-4-pyrrolidino-butyric acid ethyl ester hydrochloride Formula: C26H32ClN5O3 MolecularWeight: 498.01698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=C1CC=C2C(=C1)N=C(N2C)CC3=CC=C(C=C3)C(=N)N)C(=O)N4CCCC4.Cl

Isomeric SMILES

CCOC(=O)C/C(=C\1/CC=C2C(=C1)N=C(N2C)CC3=CC=C(C=C3)C(=N)N)/C(=O)N4CCCC4.Cl

InChI

InChI=1S/C26H31N5O3.ClH/c1-3-34-24(32)16-20(26(33)31-12-4-5-13-31)19-10-11-22-21(15-19)29-23(30(22)2)14-17-6-8-18(9-7-17)25(27)28;/h6-9,11,15H,3-5,10,12-14,16H2,1-2H3,(H3,27,28);1H/b20-19+;