3-[4-[(Z)-N-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoic acid

Systemtic Name: 3-[4-[(Z)-N-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-C-methyl-carbonimidoyl]-5-methyl-furan-2-yl]propanoic acid Openeye Name: 3-[4-[(Z)-N-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propanoic acid CAS Name: 3-[4-[(1Z)-1-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]hydrazinylidene]ethyl]-5-methyl-2-furanyl]propanoic acid IUPAC Name: 3-[4-[(Z)-N-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-C-methylcarbonimidoyl]-5-methylfuran-2-yl]propanoic acid Traditional Name: 3-[4-[(Z)-N-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]-C-methyl-carbonimidoyl]-5-methyl-2-furyl]propionic acid Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=C(OC(=C3)CCC(=O)O)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(/C)\C3=C(OC(=C3)CCC(=O)O)C

InChI

InChI=1S/C21H22N4O5/c1-4-25-21(29)16-8-6-5-7-15(16)19(24-25)20(28)23-22-12(2)17-11-14(30-13(17)3)9-10-18(26)27/h5-8,11H,4,9-10H2,1-3H3,(H,23,28)(H,26,27)/b22-12-