ethyl 2-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]benzoate CAS Name: 2-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]benzoate Traditional Name: 2-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]benzoic acid ethyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C22H23N3O4/c1-4-29-22(28)17-11-7-8-12-18(17)23-20(26)19-15-9-5-6-10-16(15)21(27)25(24-19)13-14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,26)