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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [(1S)-2-ketocyclohexyl] ester Formula: C18H20N2O4 MolecularWeight: 328.3624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3CCCCC3=O

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C18H20N2O4/c1-2-11-20-17(22)13-8-4-3-7-12(13)16(19-20)18(23)24-15-10-6-5-9-14(15)21/h3-4,7-8,15H,2,5-6,9-11H2,1H3/t15-/m0/s1