4-methyl-3-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 4-methyl-3-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]benzoic acid Openeye Name: 3-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]benzoic acid Traditional Name: 3-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]-4-methyl-benzoic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C21H21N3O4/c1-12(2)11-24-20(26)16-7-5-4-6-15(16)18(23-24)19(25)22-17-10-14(21(27)28)9-8-13(17)3/h4-10,12H,11H2,1-3H3,(H,22,25)(H,27,28)