methyl 3-[(E)-4-imidazol-1-yl-3-oxidanylidene-oct-1-enyl]benzoate

Systemtic Name: methyl 3-[(E)-4-imidazol-1-yl-3-oxidanylidene-oct-1-enyl]benzoate Openeye Name: methyl 3-[(E)-4-imidazol-1-yl-3-oxo-oct-1-enyl]benzoate CAS Name: 3-[(E)-4-(1-imidazolyl)-3-oxooct-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(E)-4-imidazol-1-yl-3-oxooct-1-enyl]benzoate Traditional Name: 3-[(E)-4-imidazol-1-yl-3-keto-oct-1-enyl]benzoic acid methyl ester Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C=CC1=CC(=CC=C1)C(=O)OC)N2C=CN=C2

Isomeric SMILES

CCCCC(C(=O)/C=C/C1=CC(=CC=C1)C(=O)OC)N2C=CN=C2

InChI

InChI=1S/C19H22N2O3/c1-3-4-8-17(21-12-11-20-14-21)18(22)10-9-15-6-5-7-16(13-15)19(23)24-2/h5-7,9-14,17H,3-4,8H2,1-2H3/b10-9+