2-[2-[(E)-2-cyano-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate

Systemtic Name: 2-[2-[(E)-2-cyano-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]phenoxy]ethanoate Openeye Name: 2-[2-[(E)-2-cyano-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxo-prop-1-enyl]phenoxy]acetate CAS Name: 2-[2-[(E)-2-cyano-3-[4-(4-methoxyphenyl)-1-piperazinyl]-3-oxoprop-1-enyl]phenoxy]acetate IUPAC Name: 2-[2-[(E)-2-cyano-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]phenoxy]acetate Traditional Name: 2-[2-[(E)-2-cyano-3-keto-3-[4-(4-methoxyphenyl)piperazino]prop-1-enyl]phenoxy]acetate Formula: C23H22N3O5- MolecularWeight: 420.43788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(=CC3=CC=CC=C3OCC(=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)/C(=C/C3=CC=CC=C3OCC(=O)[O-])/C#N

InChI

InChI=1S/C23H23N3O5/c1-30-20-8-6-19(7-9-20)25-10-12-26(13-11-25)23(29)18(15-24)14-17-4-2-3-5-21(17)31-16-22(27)28/h2-9,14H,10-13,16H2,1H3,(H,27,28)/p-1/b18-14+