[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl] 4-[(E)-3-phenylprop-2-enoyl]oxybenzoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl] 4-[(E)-3-phenylprop-2-enoyl]oxybenzoate Openeye Name: [2-(4-isopropylpiperazin-1-yl)-2-oxo-ethyl] 4-[(E)-3-phenylprop-2-enoyl]oxybenzoate CAS Name: 4-[(E)-1-oxo-3-phenylprop-2-enoxy]benzoic acid [2-oxo-2-(4-propan-2-yl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl] 4-[(E)-3-phenylprop-2-enoyl]oxybenzoate Traditional Name: 4-[(E)-3-phenylacryloyl]oxybenzoic acid [2-(4-isopropylpiperazino)-2-keto-ethyl] ester Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)OC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)OC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O5/c1-19(2)26-14-16-27(17-15-26)23(28)18-31-25(30)21-9-11-22(12-10-21)32-24(29)13-8-20-6-4-3-5-7-20/h3-13,19H,14-18H2,1-2H3/b13-8+