diethyl 2-(5-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-7-ylidene)propanedioate

Systemtic Name: diethyl 2-(5-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-7-ylidene)propanedioate Openeye Name: diethyl 2-(5-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-7-ylidene)propanedioate CAS Name: 2-[5-(1-imidazolyl)-7-spiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]ylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(5-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-7-ylidene)propanedioate Traditional Name: 2-(5-imidazol-1-ylspiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-7-ylidene)malonic acid diethyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C=C(NC2=NC3(CCCCC3)N=C12)N4C=CN=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C1C=C(NC2=NC3(CCCCC3)N=C12)N4C=CN=C4)C(=O)OCC

InChI

InChI=1S/C21H25N5O4/c1-3-29-19(27)16(20(28)30-4-2)14-12-15(26-11-10-22-13-26)23-18-17(14)24-21(25-18)8-6-5-7-9-21/h10-13H,3-9H2,1-2H3,(H,23,25)