methyl 7-(4-imidazol-1-ylphenyl)-7-oxidanylidene-heptanoate

Systemtic Name: methyl 7-(4-imidazol-1-ylphenyl)-7-oxidanylidene-heptanoate Openeye Name: methyl 7-(4-imidazol-1-ylphenyl)-7-oxo-heptanoate CAS Name: 7-[4-(1-imidazolyl)phenyl]-7-oxoheptanoic acid methyl ester IUPAC Name: methyl 7-(4-imidazol-1-ylphenyl)-7-oxoheptanoate Traditional Name: 7-(4-imidazol-1-ylphenyl)-7-keto-enanthic acid methyl ester Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCC(=O)C1=CC=C(C=C1)N2C=CN=C2

Isomeric SMILES

COC(=O)CCCCCC(=O)C1=CC=C(C=C1)N2C=CN=C2

InChI

InChI=1S/C17H20N2O3/c1-22-17(21)6-4-2-3-5-16(20)14-7-9-15(10-8-14)19-12-11-18-13-19/h7-13H,2-6H2,1H3