[(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [(2R)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [(1R)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [(1R)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NCCOC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C)C(=O)NCCOC

InChI

InChI=1S/C20H27N3O5/c1-4-5-8-12-23-19(25)16-10-7-6-9-15(16)17(22-23)20(26)28-14(2)18(24)21-11-13-27-3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3,(H,21,24)/t14-/m1/s1