methyl 4-[[4-[(E)-2-cyano-3-(4-ethylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(E)-2-cyano-3-(4-ethylpiperazin-1-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-2-cyano-3-(4-ethylpiperazin-1-yl)-3-oxo-prop-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E)-2-cyano-3-(4-ethyl-1-piperazinyl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-2-cyano-3-(4-ethylpiperazin-1-yl)-3-oxoprop-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-2-cyano-3-(4-ethylpiperazino)-3-keto-prop-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC)C#N

Isomeric SMILES

CCN1CCN(CC1)C(=O)/C(=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)OC)/C#N

InChI

InChI=1S/C25H27N3O4/c1-3-27-12-14-28(15-13-27)24(29)22(17-26)16-19-6-10-23(11-7-19)32-18-20-4-8-21(9-5-20)25(30)31-2/h4-11,16H,3,12-15,18H2,1-2H3/b22-16+