[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 2-phenyl-3H-benzimidazole-5-carboxylate CAS Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-phenyl-3H-benzimidazole-5-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H17N3O4/c25-19(22-12-16-7-4-10-27-16)13-28-21(26)15-8-9-17-18(11-15)24-20(23-17)14-5-2-1-3-6-14/h1-11H,12-13H2,(H,22,25)(H,23,24)