ethyl 4-[3-(4-cyclohexylpiperazin-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[3-(4-cyclohexylpiperazin-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-(4-cyclohexylpiperazin-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-(4-cyclohexyl-1-piperazinyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-cyclohexylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-(4-cyclohexylpiperazino)-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4CCCCC4

InChI

InChI=1S/C23H31N3O4/c1-2-30-23(29)17-8-10-19(11-9-17)26-21(27)16-20(22(26)28)25-14-12-24(13-15-25)18-6-4-3-5-7-18/h8-11,18,20H,2-7,12-16H2,1H3