[4-[2-(2,2-dimethylpropoxycarbonylamino)-3-ethoxy-3-oxidanylidene-propyl]-2-ethanoyl-phenyl] 3-cyanopropanoate

Systemtic Name: [4-[2-(2,2-dimethylpropoxycarbonylamino)-3-ethoxy-3-oxidanylidene-propyl]-2-ethanoyl-phenyl] 3-cyanopropanoate Openeye Name: [2-acetyl-4-[2-(2,2-dimethylpropoxycarbonylamino)-3-ethoxy-3-oxo-propyl]phenyl] 3-cyanopropanoate CAS Name: 3-cyanopropanoic acid [2-acetyl-4-[2-[[2,2-dimethylpropoxy(oxo)methyl]amino]-3-ethoxy-3-oxopropyl]phenyl] ester IUPAC Name: [2-acetyl-4-[2-(2,2-dimethylpropoxycarbonylamino)-3-ethoxy-3-oxopropyl]phenyl] 3-cyanopropanoate Traditional Name: 3-cyanopropionic acid [2-acetyl-4-[3-ethoxy-3-keto-2-(neopentyloxycarbonylamino)propyl]phenyl] ester Formula: C23H30N2O7 MolecularWeight: 446.4935

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C=C1)OC(=O)CCC#N)C(=O)C)NC(=O)OCC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C=C1)OC(=O)CCC#N)C(=O)C)NC(=O)OCC(C)(C)C

InChI

InChI=1S/C23H30N2O7/c1-6-30-21(28)18(25-22(29)31-14-23(3,4)5)13-16-9-10-19(17(12-16)15(2)26)32-20(27)8-7-11-24/h9-10,12,18H,6-8,13-14H2,1-5H3,(H,25,29)