tert-butyl 2-[[2-(4-octylpiperazin-1-yl)-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: tert-butyl 2-[[2-(4-octylpiperazin-1-yl)-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: tert-butyl 2-[[2-(4-octylpiperazin-1-yl)-2-oxo-ethyl]amino]benzoate CAS Name: 2-[[2-(4-octyl-1-piperazinyl)-2-oxoethyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(4-octylpiperazin-1-yl)-2-oxoethyl]amino]benzoate Traditional Name: 2-[[2-keto-2-(4-octylpiperazino)ethyl]amino]benzoic acid tert-butyl ester Formula: C25H41N3O3 MolecularWeight: 431.61134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1CCN(CC1)C(=O)CNC2=CC=CC=C2C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCN1CCN(CC1)C(=O)CNC2=CC=CC=C2C(=O)OC(C)(C)C

InChI

InChI=1S/C25H41N3O3/c1-5-6-7-8-9-12-15-27-16-18-28(19-17-27)23(29)20-26-22-14-11-10-13-21(22)24(30)31-25(2,3)4/h10-11,13-14,26H,5-9,12,15-20H2,1-4H3