[(1S)-2-oxidanylidenecyclohexyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

InChI

InChI=1S/C17H18N2O5/c20-10-9-19-16(22)12-6-2-1-5-11(12)15(18-19)17(23)24-14-8-4-3-7-13(14)21/h1-2,5-6,14,20H,3-4,7-10H2/t14-/m0/s1