3-[2-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[4-[4-(1,1-dimethylpropyl)phenoxy]anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[4-(4-tert-amylphenoxy)anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C28H26N3O5- MolecularWeight: 484.52314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C28H27N3O5/c1-4-28(2,3)18-9-13-20(14-10-18)36-21-15-11-19(12-16-21)29-24(32)17-31-26(33)23-8-6-5-7-22(23)25(30-31)27(34)35/h5-16H,4,17H2,1-3H3,(H,29,32)(H,34,35)/p-1