tert-butyl 4-[(E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-[4-(cyanomethoxy)phenyl]-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-[4-(cyanomethoxy)phenyl]prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-[4-(cyanomethoxy)phenyl]acryloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C=CC2=CC=C(C=C2)OCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)OCC#N

InChI

InChI=1S/C20H25N3O4/c1-20(2,3)27-19(25)23-13-11-22(12-14-23)18(24)9-6-16-4-7-17(8-5-16)26-15-10-21/h4-9H,11-15H2,1-3H3/b9-6+