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

Systemtic Name: tert-butyl 4-[(E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-2-cyano-3-(3-methoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-2-cyano-3-(3-methoxyphenyl)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(=CC=C2)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-20(2,3)27-19(25)23-10-8-22(9-11-23)18(24)16(14-21)12-15-6-5-7-17(13-15)26-4/h5-7,12-13H,8-11H2,1-4H3/b16-12+