propan-2-yl (E)-2-cyano-3-[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethyl-phenyl]prop-2-enoate

Systemtic Name: propan-2-yl (E)-2-cyano-3-[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethyl-phenyl]prop-2-enoate Openeye Name: isopropyl (E)-2-cyano-3-[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethyl-phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-[(4-ethyl-1-piperazinyl)methyl]-2,5-dimethylphenyl]-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-2-cyano-3-[3-[(4-ethylpiperazin-1-yl)methyl]-2,5-dimethylphenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-[(4-ethylpiperazino)methyl]-2,5-dimethyl-phenyl]acrylic acid isopropyl ester Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C(=CC(=C2)C)C=C(C#N)C(=O)OC(C)C)C

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C(=CC(=C2)C)/C=C(\C#N)/C(=O)OC(C)C)C

InChI

InChI=1S/C22H31N3O2/c1-6-24-7-9-25(10-8-24)15-21-12-17(4)11-19(18(21)5)13-20(14-23)22(26)27-16(2)3/h11-13,16H,6-10,15H2,1-5H3/b20-13+