ethyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid ethyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C21H23N5O3/c1-3-29-18(27)10-11-24-21(28)15-8-9-17-16(12-15)25-20(26(17)2)14-6-4-13(5-7-14)19(22)23/h4-9,12H,3,10-11H2,1-2H3,(H3,22,23)(H,24,28)