methyl 3-[[2-(4-carbamimidoylphenyl)-7-methyl-3H-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-7-methyl-3H-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-7-methyl-3H-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-7-methyl-3H-benzimidazol-5-yl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-7-methyl-3H-benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-7-methyl-3H-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C(=O)NCCC(=O)OC)NC(=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C2C(=CC(=C1)C(=O)NCCC(=O)OC)NC(=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H21N5O3/c1-11-9-14(20(27)23-8-7-16(26)28-2)10-15-17(11)25-19(24-15)13-5-3-12(4-6-13)18(21)22/h3-6,9-10H,7-8H2,1-2H3,(H3,21,22)(H,23,27)(H,24,25)