[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoate

Systemtic Name: [2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoate Openeye Name: [2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl] 3-(1-methylene-3-oxo-isoindolin-2-yl)propanoate CAS Name: 3-(1-methylene-3-oxo-2-isoindolyl)propanoic acid [2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-(1-methylidene-3-oxoisoindol-2-yl)propanoate Traditional Name: 3-(1-keto-3-methylene-isoindolin-2-yl)propionic acid [2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl] ester Formula: C26H26FN3O5 MolecularWeight: 479.500143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CCN3C(=C)C4=CC=CC=C4C3=O)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC(=O)CCN3C(=C)C4=CC=CC=C4C3=O)F

InChI

InChI=1S/C26H26FN3O5/c1-17-20-5-3-4-6-21(20)26(34)30(17)10-9-25(33)35-16-24(32)29-13-11-28(12-14-29)23-8-7-19(18(2)31)15-22(23)27/h3-8,15H,1,9-14,16H2,2H3