3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(homoveratrylamino)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H21N3O6 MolecularWeight: 411.40794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)OC

InChI

InChI=1S/C21H21N3O6/c1-29-16-8-7-13(11-17(16)30-2)9-10-22-18(25)12-24-20(26)15-6-4-3-5-14(15)19(23-24)21(27)28/h3-8,11H,9-10,12H2,1-2H3,(H,22,25)(H,27,28)