ethyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-(2-ethoxy-2-oxidanylidene-ethyl)benzimidazol-5-yl]amino]butanoate

Systemtic Name: ethyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-(2-ethoxy-2-oxidanylidene-ethyl)benzimidazol-5-yl]amino]butanoate Openeye Name: ethyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-(2-ethoxy-2-oxo-ethyl)benzimidazol-5-yl]amino]butanoate CAS Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-(2-ethoxy-2-oxoethyl)-5-benzimidazolyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-(2-ethoxy-2-oxoethyl)benzimidazol-5-yl]amino]butanoate Traditional Name: 4-[[2-(4-amidinobenzyl)-1-(2-ethoxy-2-keto-ethyl)benzimidazol-5-yl]amino]butyric acid ethyl ester Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CCCNC1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)CC(=O)OCC

InChI

InChI=1S/C25H31N5O4/c1-3-33-23(31)6-5-13-28-19-11-12-21-20(15-19)29-22(30(21)16-24(32)34-4-2)14-17-7-9-18(10-8-17)25(26)27/h7-12,15,28H,3-6,13-14,16H2,1-2H3,(H3,26,27)