methyl 6-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]hexanoate CAS Name: 6-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]hexanoate Traditional Name: 6-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]hexanoic acid methyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCCCC(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCCCCC(=O)OC

InChI

InChI=1S/C20H27N3O4/c1-14(2)13-23-20(26)16-10-7-6-9-15(16)18(22-23)19(25)21-12-8-4-5-11-17(24)27-3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3,(H,21,25)