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

Systemtic Name: methyl 3-[(E)-4-imidazol-1-yl-3-oxidanylidene-non-1-enyl]benzoate Openeye Name: methyl 3-[(E)-4-imidazol-1-yl-3-oxo-non-1-enyl]benzoate CAS Name: 3-[(E)-4-(1-imidazolyl)-3-oxonon-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(E)-4-imidazol-1-yl-3-oxonon-1-enyl]benzoate Traditional Name: 3-[(E)-4-imidazol-1-yl-3-keto-non-1-enyl]benzoic acid methyl ester Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3/c1-3-4-5-9-18(22-13-12-21-15-22)19(23)11-10-16-7-6-8-17(14-16)20(24)25-2/h6-8,10-15,18H,3-5,9H2,1-2H3/b11-10+