methyl 3-[6-[(4-carbamimidoylphenyl)carbonylamino]-1H-benzimidazol-2-yl]propanoate

Systemtic Name: methyl 3-[6-[(4-carbamimidoylphenyl)carbonylamino]-1H-benzimidazol-2-yl]propanoate Openeye Name: methyl 3-[6-[(4-carbamimidoylbenzoyl)amino]-1H-benzimidazol-2-yl]propanoate CAS Name: 3-[6-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1H-benzimidazol-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-[(4-carbamimidoylbenzoyl)amino]-1H-benzimidazol-2-yl]propanoate Traditional Name: 3-[6-[(4-amidinobenzoyl)amino]-1H-benzimidazol-2-yl]propionic acid methyl ester Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=NC2=C(N1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=NC2=C(N1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H19N5O3/c1-27-17(25)9-8-16-23-14-7-6-13(10-15(14)24-16)22-19(26)12-4-2-11(3-5-12)18(20)21/h2-7,10H,8-9H2,1H3,(H3,20,21)(H,22,26)(H,23,24)