methyl 3-azanyl-4-(1H-benzimidazol-2-ylmethylamino)benzoate

Systemtic Name: methyl 3-azanyl-4-(1H-benzimidazol-2-ylmethylamino)benzoate Openeye Name: methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate CAS Name: 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate Traditional Name: 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoic acid methyl ester Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)NCC2=NC3=CC=CC=C3N2)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)NCC2=NC3=CC=CC=C3N2)N

InChI

InChI=1S/C16H16N4O2/c1-22-16(21)10-6-7-12(11(17)8-10)18-9-15-19-13-4-2-3-5-14(13)20-15/h2-8,18H,9,17H2,1H3,(H,19,20)