tert-butyl 2-cyano-2-(4-piperazin-1-ylphenyl)propanoate

Systemtic Name: tert-butyl 2-cyano-2-(4-piperazin-1-ylphenyl)propanoate Openeye Name: tert-butyl 2-cyano-2-(4-piperazin-1-ylphenyl)propanoate CAS Name: 2-cyano-2-[4-(1-piperazinyl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-2-(4-piperazin-1-ylphenyl)propanoate Traditional Name: 2-cyano-2-(4-piperazinophenyl)propionic acid tert-butyl ester Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C#N)C1=CC=C(C=C1)N2CCNCC2

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C#N)C1=CC=C(C=C1)N2CCNCC2

InChI

InChI=1S/C18H25N3O2/c1-17(2,3)23-16(22)18(4,13-19)14-5-7-15(8-6-14)21-11-9-20-10-12-21/h5-8,20H,9-12H2,1-4H3