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

Systemtic Name: methyl 4-[(E)-4-imidazol-1-yl-3-oxidanylidene-non-1-enyl]benzoate Openeye Name: methyl 4-[(E)-4-imidazol-1-yl-3-oxo-non-1-enyl]benzoate CAS Name: 4-[(E)-4-(1-imidazolyl)-3-oxonon-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-4-imidazol-1-yl-3-oxonon-1-enyl]benzoate Traditional Name: 4-[(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=C(C=C1)C(=O)OC)N2C=CN=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3/c1-3-4-5-6-18(22-14-13-21-15-22)19(23)12-9-16-7-10-17(11-8-16)20(24)25-2/h7-15,18H,3-6H2,1-2H3/b12-9+