O1-[5-chloranyl-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl] O4-piperazin-1-yl (E)-but-2-enedioate

Systemtic Name: O1-[5-chloranyl-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl] O4-piperazin-1-yl (E)-but-2-enedioate Openeye Name: O1-[5-chloro-3-(4-fluorophenyl)indan-1-yl] O4-piperazin-1-yl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl] ester O4-(1-piperazinyl) ester IUPAC Name: 1-O-[5-chloro-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-yl] 4-O-piperazin-1-yl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-[5-chloro-3-(4-fluorophenyl)indan-1-yl] ester O4-piperazino ester Formula: C23H22ClFN2O4 MolecularWeight: 444.883183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)OC(=O)C=CC(=O)OC2CC(C3=C2C=CC(=C3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1)OC(=O)/C=C/C(=O)OC2CC(C3=C2C=CC(=C3)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22ClFN2O4/c24-16-3-6-18-20(13-16)19(15-1-4-17(25)5-2-15)14-21(18)30-22(28)7-8-23(29)31-27-11-9-26-10-12-27/h1-8,13,19,21,26H,9-12,14H2/b8-7+