[3-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]phenyl] 4-tert-butylbenzoate

Systemtic Name: [3-[2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoylamino]phenyl] 4-tert-butylbenzoate Openeye Name: [3-[[2-(3-methyl-4-oxo-phthalazin-1-yl)acetyl]amino]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethyl]amino]phenyl] ester IUPAC Name: [3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-[[2-(4-keto-3-methyl-phthalazin-1-yl)acetyl]amino]phenyl] ester Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC(=O)CC3=NN(C(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C28H27N3O4/c1-28(2,3)19-14-12-18(13-15-19)27(34)35-21-9-7-8-20(16-21)29-25(32)17-24-22-10-5-6-11-23(22)26(33)31(4)30-24/h5-16H,17H2,1-4H3,(H,29,32)