4-[[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]methyl]cyclohexanecarboxylic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CC(CCC1CNC(=O)CC2=NNC(=O)C3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H21N3O4/c22-16(19-10-11-5-7-12(8-6-11)18(24)25)9-15-13-3-1-2-4-14(13)17(23)21-20-15/h1-4,11-12H,5-10H2,(H,19,22)(H,21,23)(H,24,25)