tritert-butyl 7-cyano-2-[di(propan-2-yl)carbamoyl]cubane-1,3,5-tricarboxylate

Systemtic Name: tritert-butyl 7-cyano-2-[di(propan-2-yl)carbamoyl]cubane-1,3,5-tricarboxylate Openeye Name: tritert-butyl 7-cyano-2-(diisopropylcarbamoyl)cubane-1,3,5-tricarboxylate CAS Name: 7-cyano-2-[[di(propan-2-yl)amino]-oxomethyl]cubane-1,3,5-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 7-cyano-2-[di(propan-2-yl)carbamoyl]cubane-1,3,5-tricarboxylate Traditional Name: 7-cyano-2-(diisopropylcarbamoyl)cubane-1,3,5-tricarboxylic acid tritert-butyl ester Formula: C31H44N2O7 MolecularWeight: 556.69026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C12C3(C4C1(C5C4(C3C25C(=O)OC(C)(C)C)C#N)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C12C3(C4C1(C5C4(C3C25C(=O)OC(C)(C)C)C#N)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H44N2O7/c1-15(2)33(16(3)4)20(34)31-28(21(35)38-24(5,6)7)17-27(14-32)18(28)30(31,23(37)40-26(11,12)13)19(27)29(17,31)22(36)39-25(8,9)10/h15-19H,1-13H3