[(3R,5S)-5-methyl-2-oxidanylidene-oxolan-3-yl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [(3R,5S)-5-methyl-2-oxidanylidene-oxolan-3-yl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [(3R,5S)-5-methyl-2-oxo-tetrahydrofuran-3-yl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [(3R,5S)-5-methyl-2-oxo-3-oxolanyl] ester IUPAC Name: [(3R,5S)-5-methyl-2-oxooxolan-3-yl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [(3R,5S)-2-keto-5-methyl-tetrahydrofuran-3-yl] ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C[C@H]1C[C@H](C(=O)O1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O5/c1-13-11-17(20(25)27-13)28-21(26)18-15-9-5-6-10-16(15)19(24)23(22-18)12-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3/t13-,17+/m0/s1