3-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CCN(C[C@H]1COC2=CC=CC=C2O1)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C22H21N3O6/c1-2-24(11-14-13-30-17-9-5-6-10-18(17)31-14)19(26)12-25-21(27)16-8-4-3-7-15(16)20(23-25)22(28)29/h3-10,14H,2,11-13H2,1H3,(H,28,29)/t14-/m0/s1