(5R)-2-(3-imidazol-1-ylpropyliminomethyl)-3-oxidanylidene-5-phenyl-cyclohexen-1-olate

Systemtic Name: (5R)-2-(3-imidazol-1-ylpropyliminomethyl)-3-oxidanylidene-5-phenyl-cyclohexen-1-olate Openeye Name: (5R)-2-(3-imidazol-1-ylpropyliminomethyl)-3-oxo-5-phenyl-cyclohexen-1-olate CAS Name: (5R)-2-[3-(1-imidazolyl)propyliminomethyl]-3-oxo-5-phenyl-1-cyclohexenolate IUPAC Name: (5R)-2-(3-imidazol-1-ylpropyliminomethyl)-3-oxo-5-phenylcyclohexen-1-olate Traditional Name: (5R)-2-(3-imidazol-1-ylpropyliminomethyl)-3-keto-5-phenyl-cyclohexen-1-olate Formula: C19H20N3O2- MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=C1[O-])C=NCCCN2C=CN=C2)C3=CC=CC=C3

Isomeric SMILES

C1[C@H](CC(=O)C(=C1[O-])C=NCCCN2C=CN=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2/c23-18-11-16(15-5-2-1-3-6-15)12-19(24)17(18)13-20-7-4-9-22-10-8-21-14-22/h1-3,5-6,8,10,13-14,16,23H,4,7,9,11-12H2/p-1/t16-/m1/s1