3,7-dicyano-2-[di(propan-2-yl)carbamoyl]cubane-1-carboxylic acid

Systemtic Name: 3,7-dicyano-2-[di(propan-2-yl)carbamoyl]cubane-1-carboxylic acid Openeye Name: 3,7-dicyano-2-(diisopropylcarbamoyl)cubane-1-carboxylic acid CAS Name: 3,7-dicyano-2-[[di(propan-2-yl)amino]-oxomethyl]-1-cubanecarboxylic acid IUPAC Name: 3,7-dicyano-2-[di(propan-2-yl)carbamoyl]cubane-1-carboxylic acid Traditional Name: 3,7-dicyano-2-(diisopropylcarbamoyl)cubane-1-carboxylic acid Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C4(C3C25C(=O)O)C#N)C#N

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C4(C3C25C(=O)O)C#N)C#N

InChI

InChI=1S/C18H19N3O3/c1-7(2)21(8(3)4)13(22)18-9-10-15(5-19)11(9)17(18,14(23)24)12(15)16(10,18)6-20/h7-12H,1-4H3,(H,23,24)