tert-butyl 4-[2-(5-azanyl-4-cyano-furan-3-yl)ethyl]benzoate

Systemtic Name: tert-butyl 4-[2-(5-azanyl-4-cyano-furan-3-yl)ethyl]benzoate Openeye Name: tert-butyl 4-[2-(5-amino-4-cyano-3-furyl)ethyl]benzoate CAS Name: 4-[2-(5-amino-4-cyano-3-furanyl)ethyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(5-amino-4-cyanofuran-3-yl)ethyl]benzoate Traditional Name: 4-[2-(5-amino-4-cyano-3-furyl)ethyl]benzoic acid tert-butyl ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCC2=COC(=C2C#N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCC2=COC(=C2C#N)N

InChI

InChI=1S/C18H20N2O3/c1-18(2,3)23-17(21)13-7-4-12(5-8-13)6-9-14-11-22-16(20)15(14)10-19/h4-5,7-8,11H,6,9,20H2,1-3H3